bluuebunny/crossref_metadata_2025_split huggingface dataset:
A phase‐field based model for coupling two‐phase flow with the motion of immersed rigid bodies
Authors: Reder Martin , Hoffrogge Paul W. , Schneider Daniel , Nestler Britta 
Published: April 2022

AbstractThe interaction of immersed rigid bodies with two‐phase flow is of high interest in many applications. A model for the coupling of a Hohenberg–Halperin type model for two‐phase flow and a fictitious domain method for consideration of rigid bodies is introduced leading to a full multiphase‐field method to address the overall problem. A normalized phase variable is used alongside a method for application of wetting boundary conditions over a diffuse fluid‐solid interface. This enables the representation of capillary effects and different wetting behavior based on Young's law. A number of simulations is conducted in order to validate the model and highlight its ability to handle a variety of setups for two‐phase particulate flow. This includes dynamic wetting situations, the motion of multiple particles within the two‐phase flow and the interaction with arbitrarily shaped solid structures inside the domain.
Beyond ‘desirable’ values: Expanding relational values research to reflect the diversity of human–nature relationships
Authors: Hoelle Jeffrey , Gould Rachelle K. , Tauro Alejandra 
Published: April 2022

Abstract

In recent years, environmental values have become increasingly important for understanding human–environment relationships and transitions towards sustainability. Pluralistic valuation seeks to account for values associated with the diversity of human–nature relationships. Relational values (RV) have been proposed as a concept that can aid in plural valuation.

RV concern the relationships that people have with their environments. Most RV studies focus on ‘desirable’ or ‘beneficial’ RV that contribute to pro‐environmental actions and sustainable outcomes. We argue that RV could be expanded to understand values that may be less environmentally beneficial. We focus our analysis on RV that exist in ‘simplified’ landscapes.

Drawing on our research on cattle‐based livelihoods in Latin America, we highlight potential approaches to the study of RV in such simplified landscapes. We then build on the examples to examine themes and principles of RV with the aim of stimulating discussion about how the concept might be refined and expanded to study a broader range of human–environment relationships.

Overall, our aim is to contribute to plural valuation and offer preliminary suggestions for how RV might expand to capture the complexity of values, from those that are desirable to those which contribute to environmental degradation. Expanding the scope of RV research and the depth of the RV concept can help to understand the challenges to sustainability and contribute to the shared goals of sustainability that motivate values research.

Read the free Plain Language Summary for this article on the Journal blog.
Hybrid structures for Achilles' tendon repair
Authors: Peixoto Tânia , Carneiro Sofia , Pereira Fábio , Santos Cristóvão , Fangueiro Raúl , Duarte Isabel , Paiva Maria C. , Lopes Maria A. , Guedes Rui M. 
Published: April 2022

AbstractThe management of extensive tendon injuries poses a considerable challenge. These cases typically require a partial replacement of the tissue, and conventional treatment options, either grafts or synthetic constructs, present disadvantages. Synthetic constructs may be produced with either non‐biodegradable or biodegradable polymers. However, while the former lacks biointegration, the latter requires a compromise between tissue ingrowth and biodegradability, frequently malfunctioning due to inadequate mechanical properties. The present work presents a textile medical device designed to repair the Achilles tendon (AT). This device is based on a core/shell design that mimics the multiscale organization of the native tissue. The core comprises several hybrid braids based on poly(ethylene terephthalate) (PET) and poly(lactic acid) (PLA) yarns, and the shell consists on braided PET yarns surrounding the core. Different PET/PLA compositions of the core braids were studied to optimize biodegradability without compromising mechanical performance. The morphology and mechanical properties of the structures were studied. The hybrid structures presented a non‐linear force–strain curve comparable to a representative curve described for a native tendon. A decrease in force and stiffness was observed as the PLA content in the structure increased. Nevertheless, the obtained values for the hybrid structures are promising for AT replacement. Besides, these hybrid structures demonstrated appropriate resistance to cyclic loading and a beneficial creep behavior. The results obtained in the present work fall within the range of values reported for the native AT.
Constructing a novel synergistic flame retardant by hybridization of zeolitic imidazolate framework‐67 and graphene oxide for thermoplastic polyurethane
Authors: Liu Qinyong , Wang Huawei , Li Hefu , Sun Jun , Gu Xiaoyu , Zhang Sheng 
Published: April 2022

AbstractTo enhance the flame retardancy and smoke suppression of thermoplastic polyurethane (TPU), a novel flame retardant ZIF‐67@GO was fabricated by hybridization of zeolitic imidazolate framework‐67 (ZIF‐67) and graphene oxide (GO). The flame retardancy of TPU sample was significantly enhanced by the presence of 6.5 wt% ammonium polyphosphate (APP) and 0.5 wt% ZIF‐67@GO: the limit oxygen index (LOI) reached 27.4% and UL‐94 grade passed V‐0, the peak heat release rate (pHRR) and peak smoke production rate (pSPR) values was dropped by 81.2% and 48.7%, respectively, comparing with that of the control sample. The burning time of the flame‐retardant TPU sample was prolonged to more than 600 s from 200 s of the control TPU sample during the cone test. Additionally, the tensile strength and elongation ratio of the flame‐retardant TPU reached 18.3 MPa and 1026.3%, respectively, which meet the requirement in most industrial applications. This work provides useful information to produce flame retardant synergists for polymeric composites.
Effects of printing direction on quasi‐static and dynamic compressive behavior of 3D printed short fiber reinforced polyamide‐based composites
Authors: Wang Kui , Xiang Jiangyang , Wang Jin , Xie Guoquan , Liu Yisen , Peng Yong , Rao Yanni , Matadi Boumbimba Rodrigue 
Published: April 2022

AbstractThis paper investigated the effects of printing directions (path of nozzle movement) and strain rates on the performances of short carbon and glass fibers filled polyamide‐based composites prepared by fused deposition modeling (FDM). Cylindrical specimens printed in three different printing directions were compressed at a wide range of strain rate. The results showed that, for short fiber reinforced polyamide, the compressive properties of cylindrical specimens were affected by printing directions closely associated with the fiber orientation. The highest elastic modulus and yield strength of short fiber reinforced specimens were obtained when the printing direction was parallel to the applied loading direction, because the orientation of short fibers was preferred to the printing direction. However, at large deformation, the orientation of fibers in specimens changed, accompanied by a decrease in stress. With increasing strain rates, the short fiber reinforced polyamide with different fiber orientations showed different failure modes. However, the compressive behaviors of pure polyamide were similar, although they were printed in different printing directions.
Effects of process conditions on tensile strength and crystallinity of polymeric parts fabricated using ultrasonic vibration‐assisted injection molding
Authors: Liu Ying , Zhao Xueli , Hua Weijian , Yu Tongmin , Zhao Danyang , Jin Yifei , Zhu Tieli 
Published: April 2022

AbstractPolymeric parts have been widely used for various applications and injection molding is one of the most commonly used approaches to fabricate polymeric parts. Both the mechanical properties and microstructures of fabricated parts are severely affected by the process conditions. In this article, polyamide (PA66) was selected as the exemplary polymer to make dogbone‐shaped polymeric specimens. First, the effects of key process parameters including melt temperature, mold temperature, injection pressure, and injection speed on the tensile strength and crystallinity of the specimens were systematically investigated. Then, the effects of external ultrasonic vibration field on the mechanical properties and microstructures were studied using tensile tests, X‐ray diffraction, and polarizing light microscope imaging. After that, the orthogonal experiments were designed to analyze the affecting extent of each process parameter and achieve the optimal combination of the process parameters. Finally, using the optimal process conditions, the polymeric part with the best tensile strength and crystallinity was successfully fabricated. The knowledge from this article can be expanded to the injection molding of polymeric parts from other polymers, unveiling the mechanisms during fabrication and providing guidelines for the selection of optimal process conditions in the future.
A shelf stable Fmoc hydrazine resin for the synthesis of peptide hydrazides
Authors: Bird Michael J. , Dawson Philip E. 
Published: April 2022

AbstractC‐terminal hydrazides are an important class of synthetic peptides with an ever expanding scope of applications, but their widespread application for chemical protein synthesis has been hampered due to the lack of stable resin linkers for synthesis of longer and more challenging peptide hydrazide fragments. We present a practical method for the regeneration, loading, and storage of trityl‐chloride resins for the production of hydrazide containing peptides, leveraging 9‐fluorenylmethyl carbazate. We show that these resins are extremely stable under several common resin storage conditions. The application of these resins to solid phase peptide synthesis (SPPS) is demonstrated through the synthesis of the 40‐mer GLP‐1R agonist peptide “P5”. These studies support the broad utility of Fmoc‐NHNH‐Trt resins for SPPS of C‐terminal hydrazide peptides.
Investigating the relationship between emotion regulation strategies and self‐efficacy beliefs among adolescents: Implications for academic achievement
Authors: Zyberaj Jetmir 
Published: April 2022

AbstractThe present study sought to investigate the implications of emotion regulation strategies for academic achievement in adolescence. First, the relationship between various facets of emotion regulation strategies and self‐efficacy beliefs was investigated. Second, emotion regulation strategies were scrutinized in relation to academic achievement. Using a sample of middle school adolescents (N = 478; 181 female), from a collectivist society, the results of correlation analysis revealed positive and negative relationships between different facets of emotion regulation strategies and self‐efficacy beliefs. For instance, reappraisal (a positive emotion regulation strategy) was positively correlated with academic self‐efficacy, a critical facet for learning and academic achievement (r = .32,p < .01). Similarly, there were positive and negative correlations between emotion regulation strategies and academic achievement. Implications for both adolescents and schools are discussed.
Charge‐activated TADDOLs: Recyclable organocatalysts for asymmetric (hetero‐)Diels–Alder reactions
Authors: Riegel George F. , Takashige Keiji , Lovstedt Alex , Kass Steven R. 
Published: April 2022

AbstractSeveral charge‐containing TADDOL salts were synthesized and used as organocatalysts in asymmetric Diels–Alder and hetero‐Diels–Alder reactions. Their catalytic activity was found to exceed that of a noncharged analog while maintaining or improving upon the enantioselectivity. The enhanced activities of the TADDOL salts enabled them to act as presumed hydrogen bond donor catalysts in the Diels–Alder and hetero‐Diels–Alder reactions of 1,3‐cyclohexadiene with methyl vinyl ketone at 40°C and 2‐phenoxy‐1,3‐butadiene with ethyl glyoxylate at room temperature, respectively. Given the ionic nature of these charge‐activated catalysts, it also proved possible to recycle and reuse the TADDOL without chromatography or the need for a recrystallization.
Mutation in MCL1 predicted loop to helix structural transition stabilizes MCL1–Bax binding interaction favoring cancer cell survival
Authors: Deepak Shyl Eby‐nesar Stella‐glory , Malgija Beutline , Iniyan Appadurai Muthamil , Vincent Samuel Gnana Prakash 
Published: April 2022

AbstractMyeloid cell leukemia‐1 (MCL1), an anti‐apoptotic BCL‐2 family protein plays a major role in the control of apoptosis as the regulator of mitochondrial permeability which is deregulated in various solid and hematological malignancies. Interaction of the executioner proteins Bak/Bax with anti‐apoptotic MCL1 and its cellular composition determines the apoptotic or survival pathway. Mutations act at various levels in the apoptotic process and can contribute to disease. Single nucleotide polymorphism (SNP) in MCL1 gene was focused as they result in changes in the amino acid sequence and have been associated with tumorigenesis. This study highlighted the deleterious MCL1‐Bax stabilizing effect of the mutation V220F on MCL1 structure through computational protein–protein interaction predictions and molecular dynamics simulations. The single point mutation at V220F was selected as it is residing at the hydrophobic core region of BH3 conserved domain, the site of Bax binding. The molecular dynamics simulation studies showed increase in stability of the mutated MCL1 before and after Bax binding comparable with the native MCL1. The clusters from free energy landscape found out structural variation in folding pattern with additional helix near the BH3 domain in the mutated structure. This loop to helix structural change in the mutated complex favored stable interaction of the complex and also induced Bax conformational change. Moreover, molecular mechanics‐based binding free energy calculations confirmed increased affinity of Bax toward mutated MCL1. Residue‐wise interaction network analysis showed the individual residues in Bax binding responsible for the change in stability and interaction due to the protein mutation. In conclusion, the overall findings from the study reveal that the presence of V220F mutation on MCL1 is responsible for the structural confirmational change leading to disruption of its biological functions which might be responsible for tumorigenesis. The mutation could possibly be used as future diagnostic markers in treating cancers.
Quantitative resilient investigation using RIPSHA approach and ANOVA validation for the ammonia storage unit
Authors: Rathinam Pramoth , Subburaj Sudha , Roseline A Ameelia , Kalaiselvam Siva 
Published: April 2022

AbstractAmmonia is one of the most widely used chemicals in the processing industry. It is used as a refrigerant and substrate in various process fields. Almost every unit operation uses ammonia, and the storage and handling of ammonia require special attention in terms of inherent system safety. Controlling the catastrophic release of ammonia from the installed facility is a challenging process. In this paper, the resilient nature of the ammonia storage area in a fertilizer manufacturing plant in the southern part of the Indian subcontinent was considered. The resilience of the ammonia storage area is analyzed using the Resilience‐based Integrated Process System Hazard Analysis and statistically validated using one‐way analysis of variance (ANOVA). With the ANOVA validation method, the f‐values of subsystems are endorsed at a significance level of 0.05 both before and after recommendations were made. After implementing the statistically validated recommendations, the risk of each subsystem is significantly reduced. It has been determined that subsystems, namely process safety systems, operator/human hazards, and operational discipline require, immediate attention.
The performance of approximateEOM‐CCSDfor ionization potential and electron affinity of genetic material subunits: A benchmark investigation
Authors: Tripathi Divya , Dutta Achintya Kumar 
Published: April 2022

AbstractWe present a benchmark investigation on the performance of various approximate EOM‐CCSD methods for the ionization potential and electron affinity of the genetic material subunits. Our test set consists of 22 molecules, and the canonical EOM‐CCSD method has been used as the reference. Our study shows that the accuracy of approximate methods varies largely for different quantities. However, the pair natural orbital (PNO) based EOM‐CCSD method gives a proper balance between computational cost and accuracy, more suitable than the methods based on perturbative approximation to study properties related to ionization and electron attachment to genetic materials.
Quantum Communication Using Semiconductor Quantum Dots
Authors: Vajner Daniel A. , Rickert Lucas , Gao Timm , Kaymazlar Koray , Heindel Tobias 
Published: April 2022

AbstractWorldwide, enormous efforts are directed toward the development of the so‐called quantum internet. Turning this long‐sought‐after dream into reality is a great challenge that will require breakthroughs in quantum communication and computing. To establish a global, quantum‐secured communication infrastructure, photonic quantum technologies will doubtlessly play a major role, by providing and interfacing essential quantum resources, for example, flying‐ and stationary qubits or quantum memories. Over the last decade, significant progress has been made in the engineering of on‐demand quantum light sources based on semiconductor quantum dots, which enable the generation of close‐to‐ideal single‐ and entangled‐photon states, useful for applications in quantum information processing. This review focuses on implementations of, and building blocks for, quantum communication using quantum‐light sources based on epitaxial semiconductor quantum dots. After reviewing the main notions of quantum communication and introducing the devices used for single‐photon and entangled‐photon generation, an overview of experimental implementations of quantum key distribution protocols using quantum dot based quantum light sources is provided. Furthermore, recent progress toward quantum‐secured communication networks as well as building blocks thereof is summarized. The article closes with an outlook, discussing future perspectives in the field and identifying the main challenges to be solved.
Stochastic fixed‐time formation for nonlinear multi‐agent systems under a discontinuous protocol
Authors: He Wennuo , Guo Wanli , Shi Lili , Sun Wen , Jahanshahi Hadi 
Published: April 2022

AbstractThis article mainly studies the time‐varying fixed‐time formation (FTF) tracking control problem for stochastically disturbed nonlinear multi‐agent systems on detail balanced graphs. First, a novel sufficient condition for ensuring the fixed‐time stability in probability of stochastic differential equation is given. Then, using the neighboring information, a simple discontinuous control protocol is designed for achieving time‐varying FTF. By means of non‐smooth analysis techniques, our control objective is obtained and a proper upper bound for the expectation of the stochastic settling time is estimated. Finally, a numerical illustration demonstrates that the proposed control protocol is effective.
Neuroadaptive learning algorithm for constrained nonlinear systems with disturbance rejection
Authors: Yang Guichao , Yao Jianyong , Dong Zhenle 
Published: April 2022

AbstractFor practical plants, there are not only inevitable endogenous and exogenous disturbances, but also constraint demands for control input amplitude, output performance, and system states. The existing controllers are difficult to handle the aforementioned control issues simultaneously and may be affected by “explosion of complexity.” In this work, we will develop a neuroadaptive learning algorithm for constrained nonlinear systems with disturbance rejection. In detail, the performance prescribed function and time‐varying barrier Lyapunov functions will be constructed to achieve the prescribed output performance and time‐varying state constraints, respectively. Furthermore, the neural network adaptive control and the extended state observers will be combined to respectively estimate the endogenous uncertainties and exogenous disturbances on‐line and meanwhile compensate for them feedforwardly. In particular, a filter will be introduced to estimate the virtual control law at each procedure, and this filtered value will replace its actual value in synthesizing the controller. In addition, the filtering errors and input saturation nonlinearity will be compensated by introducing an auxiliary system. Eventually, the whole closed‐loop stability is strictly guaranteed and the achievable control performance is verified by the application results.
Sharp threshold for the Erdős–Ko–Rado theorem
Authors: Balogh József , Krueger Robert A. , Luo Haoran 
Published: April 2022

AbstractFor positive integers and with , the Kneser graph is the graph with vertex set consisting of all ‐sets of , where two ‐sets are adjacent exactly when they are disjoint. The independent sets of are ‐uniform intersecting families, and hence the maximum size independent sets are given by the Erdős–Ko–Rado Theorem. Let be a random spanning subgraph of where each edge is included independently with probability . Bollobás, Narayanan, and Raigorodskii asked for what does have the same independence number as with high probability. For , we prove a hitting time result, which gives a sharp threshold for this problem at . Additionally, completing work of Das and Tran and work of Devlin and Kahn, we determine a sharp threshold function for all .
Subgroup‐specific dose finding for phase I‐II trials using Bayesian clustering
Authors: Curtis Alexandra , Smith Brian , Chapple Andrew G. 
Published: April 2022

AbstractIn most models and algorithms for dose‐finding clinical trials, it is assumed that the trial participants are homogeneous—the optimal dose is the same for all those who qualify for the trial. However, if there are heterogeneous populations who may benefit from the same treatment, it is inefficient to conduct dose‐finding separately for each group, and assuming homogeneity across all subpopulations may lead to identification of the incorrect dose for some (or all) subgroups. To accommodate heterogeneity in dose‐finding trials when both efficacy and toxicity outcomes must be used to identify the optimal dose (as in immunotherapeutic oncology treatments), we utilize an adaptive Bayesian clustering method which borrows strength among similar subgroups and clusters truly homogeneous subgroups. Unlike methodology already described in the literature, our proposed methodology does not require the assumption of exchangeability between subgroups or a priori ordering of subgroups, but does allow for specification of different subgroup‐specific priors if prior information is available. We provide a comparison of operating characteristics between our method and Bayesian hierarchical models for subgroups in a variety of relevant scenarios. After simulation studies with four a priori subgroups, we observed that our method and the hierarchical models both outperform separate subgroup‐specific models when all subgroups have the same dose‐efficacy and dose‐toxicity curves. However, our method outperforms hierarchical models when one subgroup has a different dose‐efficacy or dose‐toxicity curve from the other three subgroups.