bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Predictive Theory for Domain Walls in Oxide Ferroelectrics Based on Interatomic Interactions and its Implications for Collective Material Properties
Authors: Samanta Atanu , Yadav Suhas , Gu Zongquan , Meyers Cedric J. G. , Wu Liyan , Chen Dongfang , Pandya Shishir , York Robert A. , Martin Lane W. , Spanier Jonathan E. , Grinberg Ilya 
Published: October 2021

AbstractDomain walls separating regions of ferroelectric material with polarization oriented in different directions are crucial for applications of ferroelectrics. Rational design of ferroelectric materials requires the development of a theory describing how compositional and environmental changes affect domain walls. To model domain wall systems, a discrete microscopic Landau–Ginzburg–Devonshire (dmLGD) approach with A‐ and B‐site cation displacements serving as order parameters is developed. Application of dmLGD to the classic BaTiO3, KNbO3, and PbTiO3 ferroelectrics shows that A–B cation repulsion is the key interaction that couples the polarization in neighboring unit cells of the material. dmLGD decomposition of the total energy of the system into the contributions of the individual cations and their interactions enables the prediction of different properties for a wide range of ferroelectric perovskites based on the results obtained for BaTiO3, KNbO3, and PbTiO3 only. It is found that the information necessary to estimate the structure and energy of domain‐wall “defects” can be extracted from single‐domain 5‐atom first‐principles calculations, and that “defect‐like” domain walls offer a simple model system that sheds light on the relative stabilities of the ferroelectric, antiferroelectric, and paraelectric bulk phases. The dmLGD approach provides a general theoretical framework for understanding and designing ferroelectric perovskite oxides.
3D Porous Fused Aromatic Networks for High Performance Gas and Iodine Uptakes
Authors: Ahmad Ishfaq , Noh Hyuk‐Jun , Yu Soo‐Young , Jeon Jong‐Pil , Sun Qikun , Mahmood Javeed , Baek Jong‐Beom 
Published: October 2021

AbstractPorous organic networks (PONs) are an emerging class of organic materials with 2D and 3D architectures formed by covalent bonds between light elements, such as C, H, N, O, and B. Extensive efforts have been devoted to synthesizing thermally “stable” 3D PONs to realize their practical applications. Here, the design and synthesis are reported for two new 3D PONs with fused aromatic structures. The PONs structures are constructed by the double condensation reaction between tetrapodal octaamine and pyrenetetraketone (PTK) or hexaketocyclohexane (HKH) to produce PTK‐PON (P‐PON) or HKH‐PON (H‐PON), respectively. The prepared nitrogen‐rich PONs show good thermal stabilities with specific surface areas of 873 m2 g−1 (P‐PON) and 741 m2 g−1 (H‐PON). Because of their relatively narrow pore dimensions (1.29 and 0.78 nm, respectively), the synthesized PONs exhibit high adsorption performance for small molecules such as carbon dioxide (CO2), hydrogen (H2), methane (CH4), and iodine (I2).
Soft Plasmonics: Design, Fabrication, Characterization, and Applications
Authors: Fu Runfang , Lu Yan , Cheng Wenlong 
Published: October 2021

AbstractPlasmonic nanostructures are important building blocks in modern nanoscience and nanotechnology. Significant research efforts have been directed toward developing solution‐based or rigid‐substrate‐supported metallic nanostructures for novel applications in biophotonics, sensing, energy, and medicine. In parallel, there has been an increasing interest in the fabrication of plasmonic nanostructures on elastomeric substrates and exploring the impact of mechanical deformation including bending, torsion, and stretching on the collective plasmonic resonance properties. This burgeoning field may be defined as soft plasmonics (or soft mechanoplasmonics), analogous to soft electronics. This review describes the recent progress in the design, fabrication, characterization, properties, and applications of soft plasmonics. Soft plasmonics are expected to afford complementary features and functions to the field of soft electronics, enabling applications that are difficult or impossible to achieve with traditional rigid plasmonic structures, such as conformal attachment or integration with soft biological systems for real‐time sensing, actuation, and close‐loop feedback.
MoSe2 Nanoflowers for Highly Efficient Industrial Wastewater Treatment with Zero Discharge
Authors: Lee Jyun‐Ting , Mathur Shaurya , Shen Sophia , Wu Jyh‐Ming , Chen Jun 
Published: October 2021

AbstractWater pollution is one of the leading causes of death and disease worldwide, yet mitigating it remains a challenge. This paper presents an efficient new strategy for the processing of wastewater utilizing an accessible redox reaction with MoSe2 nanoflowers, which shows a strong oxidizing ability and permits the decomposition of dye molecules in dark environments without the need for an external power source. This reaction can treat wastewater at a decomposition rate above 0.077 min−1, even when interacting with organic pollutants at concentrations up to 1500 ppm. Theoretical calculations by Dmol3 simulation elucidates that the reactions proceed spontaneously, and the kinetic constant (kobs) for this redox reaction with 10 ppm RhB dye is 0.53 min−1, which is 65 times faster than the titanium dioxide photocatalytic wastewater treatment. More importantly, the residual waste solution can be further utilized as a precursor to reconstruct the MoSe2 nanoflowers. To demonstrate the effectiveness and reusability, the treated effluent is directly used as the sole source of irrigated water for plants with no adverse effect. This method offers an eco‐friendly and more accessible way to treat industrial wastewater with zero‐discharge.
Recursive filtering for mobile robot localization under an energy harvesting sensor
Authors: Lu Yanyang , Shen Bo , Shen Yuxuan 
Published: October 2021

AbstractIn this paper, the localization problem of the mobile robot (MR) with an energy harvesting sensor (EHS) is studied. A specific situation is regarded, which is that the MR equips with an EHS who owns the capacity for absorbing the energy from the surroundings. When the sensor energy is sufficient, the sensor can send its measurement to the filter. Otherwise, the sensor energy‐induced measurement missing phenomenon will occur. For the sake of acquiring the measurement missing rate, the relationship between the amount of the sensor energy and its probability distribution is derived recursively at each time instant. The purpose of this paper is to seek out a feasible solution to the addressed MR localization (MRL) problem (MRLP) by devising the desired time‐varying filter. Firstly, in the presence of the sensor energy‐induced measurement missing phenomenon, an upper bound (UB) for the filtering error (FE) covariance (FEC) is acquired recursively. Then, the acquired UB is minimized by characterizing the desired filter gain adequately. Finally, a simulation is conducted to testify the availability of the proposed MRL algorithm (MRLA).
First‐line sorafenib sequential therapy and liver disease etiology for unresectable hepatocellular carcinoma using inverse probability weighting: A multicenter retrospective study
Authors: Shimose Shigeo , Hiraoka Atsushi , Nakano Masahito , Iwamoto Hideki , Tanaka Masatoshi , Tanaka Takaaki , Noguchi Kazunori , Aino Hajime , Ogata Kei , Kajiwara Masahiko , Itano Satoshi , Yokokura Yoshinori , Yamaguchi Taizo , Kawano Hiroshi , Matsukuma Norito , Suga Hideya , Niizeki Takashi , Shirono Tomotake , Noda Yu , Kamachi Naoki , Okamura Shusuke , Kawaguchi Takumi , Koga Hironori , Torimura Takuji 
Published: October 2021

AbstractBackground and AimsSequential therapy with molecular‐targeted agents (MTAs) is considered effective for unresectable hepatocellular carcinoma (HCC) patients. This study purposed to evaluate the efficacy of sequential therapy with sorafenib (SORA) as a first‐line therapy and to investigate the therapeutic impact of SORA in nonalcoholic fatty liver disease (NAFLD) or nonalcoholic steato hepatitis (NASH)‐related HCC.MethodsWe evaluated 504 HCC patients treated with SORA (Study‐1). The times of administration for sorafenib from 2009 to 2015, 2016 to 2017, and 2018 and later were defined as the early‐, mid‐, and late‐term periods, respectively. Among them, 180 HCC patients treated with SORA in addition to MTAs in the mid‐ and late‐term periods were divided into groups based on disease etiology (NAFLD or NASH [n = 37] and viral or alcohol [n = 143]), and outcomes were compared after inverse probability weighting (IPW) (Study‐2).ResultsOverall survival (OS) of HCC patients who received sequential MTA therapy after first‐line SORA was significantly longer. The median survival times (MST) were 12.6 versus 17.6 versus 17.4 months in the early‐term group, mid‐term group, and the later‐time group (early vs. mid, p = 0.014, early vs. later. p = 0.045), respectively. (Study‐1). In Study‐2, there was no significant differences in OS between the Virus/alcohol group and the NAFLD/NASH group in patients who received sequential therapy (MST was 23.4 and 27.0 months p = 0.173, respectively). The NAFLD or NASH, female sex, albumin‐bilirubin (ALBI) grade 2b, and major Vp (Vp3/Vp4) were significant factors for OS treated with SORA.ConclusionsSequential therapy with SORA as the first‐line treatment improved the prognosis of unresectable HCC patients and was effective regardless of HCC etiology.
Atypical presentation of cardiomyopathy in a case of maternal mortality that was demonstrated as hypovolemic shock
Authors: Mashak Banfsheh , Hashemnejad Maryam , Fakehi Maliheh , Heidary Zohreh , Mirmajidi Roghayyeh , Ghaemi Marjan 
Published: October 2021

AbstractPericonceptional and prenatal care should be continued even during COVID‐19 pandemics. Indeed, prevention and intervention programs for managing heart failure with aggressive resuscitation and invasive monitoring help to provide the best outcomes in cardiomyopathies. PPH may be associated with cardiac diseases and the resuscitation measures need modification to prevent maternal mortality.
Breathing‐Assisted Selective Adsorption of C8 Alkyl Aromatics in Zn‐Based Metal–Organic Frameworks
Authors: Lee Jihyun , Kim Younghoon , Son Younghu , Kim Hyehyun , Choi Yong Nam , D'Alessandro Deanna , Rao Purna Chandra , Yoon Minyoung 
Published: October 2021

AbstractInvited for the cover of this issue are Purna Chandra Rao, Minyoung Yoon and co‐workers at Kyungpook National University, Gachon University, POSTECH, Korea Atomic Energy Research Institute and the University of Sydney. The image depicts how single C8 isomers are selectively isolated from a mixture. Read the full text of the article at 10.1002/chem.202102640.
Development of impedance measurement of lithium ion batteries electrode using terahertz chemical microscope
Authors: Shimizu Masashi , Yamanaka Ryoji , Teranishi Takashi , Wang Jin , Sakai Kenji , Tsukada Keiji , Kiwa Toshihiko 
Published: October 2021

AbstractIn recent years, with the spread of electric vehicles, improvement in the performance of lithium ion batteries has been required. Evaluation of the active material is important because the performance of the lithium ion battery is affected by the movement of lithium ions at the electrode active material‐electrolyte interface. In this study, we fabricated a lithium ion battery with the sensing plate, which is a potential sensor, attached to the positive electrode, and evaluated lithium ion battery with a terahertz chemical microscope (TCM). As a result, we succeeded in measuring the potential distribution of the positive electrode during charging and discharging, and the local impedance.
Death of a child and the risk of heart failure: a population‐based cohort study from Denmark and Sweden
Authors: Wei Dang , Li Jiong , Janszky Imre , Chen Hua , Fang Fang , Ljung Rickard , László Krisztina D. 
Published: October 2021

AimsWe aimed to investigate whether the death of a child, one of the most severe stressors, is associated with the risk of heart failure (HF).Methods and resultsWe conducted a population‐based cohort study involving parents of live‐born children recorded in the Danish and Swedish Medical Birth Registers during 1973–2016 and 1973–2014, respectively (n = 6 717 349). We retrieved information on child death, HF diagnosis and sociodemographic characteristics of the parents from several nationwide registries. We performed Poisson regression models to estimate incidence rate ratios (IRR) and 95% confidence intervals (CI) for HF in relation to bereavement. A total of 129 829 (1.9%) parents lost at least one child during the follow‐up. Bereaved parents had a 35% higher risk of HF than the non‐bereaved (IRR 1.35, 95% CI 1.29–1.41; p < 0.001). The increased HF risk was observed not only when the child died due to cardiovascular or other natural causes, but also when the loss was due to unnatural causes. The association tended to be U‐shaped when we categorized the exposed parents by the number of remaining live children at loss or by the age of the deceased child.ConclusionWe found that the death of a child was associated with an increased risk of HF. The finding that not only cardiovascular and other natural deaths, but also unnatural deaths were associated with HF suggests that stress‐related mechanisms may contribute to the development of HF.
SLAMF7 selectively favors degranulation to promote cytotoxicity in human NK cells
Authors: Gutierrez‐Guerrero Arturo , Mancilla‐Herrera Ismael , Maravillas‐Montero Jose L. , Martinez‐Duncker Ivan , Veillette Andre , Cruz‐Munoz Mario E. 
Published: October 2021

AbstractNK cells play an important role in immunity by recognizing and eliminating cells undergoing infection or malignant transformation. This role is dependent on the ability of NK cells to lyse targets cells in a perforin‐dependent mechanism and by secreting inflammatory cytokines. Both effector functions are controlled by several cell surface receptors. The Signaling Lymphocyte Activation Molecule (SLAM) family of receptors plays an essential role in regulating NK cell activation. Several studies have demonstrated that SLAMF7 regulates NK cell activation. However, the molecular and cellular mechanisms by which SLAMF7 influences NK effector functions are unknown. Here, we present evidence that physiological ligation of SLAMF7 in human NK cells enhances the lysis of target cells expressing SLAMF7. This effect was dependent on the ability of SLAMF7 to promote NK cell degranulation rather than cytotoxic granule polarization or cell adhesion. Moreover, SLAMF7‐dependent NK cell degranulation was predominantly dependent on PLC‐γ when compared to PI3K. These data provide novel information on the cellular mechanism by which SLAMF7 regulates human NK cell activation. Finally, this study supports a model for NK cell activation where activated receptors contribute by regulating specific discrete cellular events rather than multiple cellular processes.
Ethnocultural diversity of immigrants' personal social networks, bicultural identity integration and global identification
Authors: Bobowik Magdalena , Benet‐Martínez Verónica , Repke Lydia 
Published: October 2021

There is some evidence that ethnocultural diversity encourages superordinate levels of categorisation, such as feeling identified with people globally. A remaining question is what type of engagement with diversity facilitates this link and why. We use immigrants' personal social network data and examine the link between global identification and ethnocultural diversity among closer relationships (i.e. strong network contacts, such as friendships) and more distant ones (i.e. weak contacts, including neighbours and acquaintances). Furthermore, following exposure to diversity, individuals may internalise more than one culture and differ how they integrate their multiple cultural socialisation into the self (i.e. vary in their degree of bicultural identity integration). We thus test whether relational ethnocultural diversity is linked to a stronger global identification through either cultural blendedness (i.e. combining two cultures) or harmony (i.e. perceiving two cultures as compatible). Relying on a culturally diverse community sample of 216 immigrants residing in Barcelona (53% female, Mage = 31 years, SD = 10.4), we found that ethnocultural diversity among strong (but not weak) contacts was associated with stronger global identification and that this association is mediated by cultural harmony (but not blendedness). These results attest to the link between having ethnoculturally diverse close social relationships and superordinate identification.
“Silence Signals Consent”: A Review of The Civically Engaged Classroom
Authors: Scarbrough Burke 
Published: October 2021

AbstractA review of Mary Ehrenworth, Pablo Wolfe, and Marc Todd's The Civically Engaged Classroom: Reading, Writing, and Speaking for Change (Heinemann, 2021). The review focuses on the book's multifaceted rationale for engaging pressing social issues in the classroom, including how civic engagement promotes a deep engagement with key facets of literacy pedagogy. It also describes the book's numerous tangible pedagogical resources. It ends by acknowledging the sometimes contentious local context for the important work that the authors are calling for.
Efficiency and preference for alternative activities during schedule thinning with functional communication training
Authors: Simmons Christina A. , Salvatore Giovanna L. , Zangrillo Amanda N. 
Published: October 2021

Functional communication training is an effective treatment for decreasing socially reinforced destructive behavior (Carr & Durand, 1985). Clinicians frequently use multiple schedules to thin the reinforcement schedule (Hanley et al., 2001). Individuals are often taught to wait for functional reinforcers without alternative programmed stimuli. However, concurrently available items and activities are often accessible in the natural environment. In this study, we taught 4 participants a functional communication response to access functional reinforcers. We implemented a multiple schedule during schedule thinning, comparing a control condition (nothing available during SΔ intervals) to separate conditions with items/activities (moderately preferred tangible items, attention, demands) noncontingently available during SΔ intervals. After reaching the terminal schedule in one condition, therapists assessed participant preference across SΔ conditions. For all participants, the terminal schedule was reached with alternative items and activities, and participant preference corresponded with the most efficient schedule thinning condition. Therapists also indicated preference for alternative items/activities.
The Influence of Obesity, Ovariectomy, and Greenshell Mussel Supplementation on Bone Mineral Density in Rats
Authors: Siriarchavatana Parkpoom , Kruger Marlena C , Miller Matthew R , Tian Hong (Sabrina) , Wolber Frances M 
Published: October 2021

ABSTRACTObesity is considered to impair long‐term health by disturbing multiple physiological functions. However, it remains a controversial issue as to whether obesity has beneficial or detrimental effects on bone health in postmenopausal women. The aims of this study were to investigate the relationships between obesity and bone mineral density (BMD) under conditions of ovarian hormone deficiency in an animal model and to evaluate the potential health benefits of Greenshell mussel (GSM) on bone health. A total of 144 adult female Sprague–Dawley rats were fed from age 12 weeks on one of four diets (normal [ND]; ND + GSM; high fat/high sugar [HF/HS]; HF/HS + GSM; n = 36 per diet). At age 20 weeks, after a dual‐energy X‐ray absorptiometry (DXA) scan, 12 of the rats on each diet underwent ovariectomy (OVX) and the remaining rats were left intact. Twelve of the intact rats in each diet group were culled at age 26 weeks (short‐term cohort). The remaining rats were culled at age 48 weeks (long‐term cohort). Rats were DXA scanned before cull, then various fat pads were dissected. The results revealed that HF/HS rats and OVX rats dramatically increased body weight and fat deposition in correlation with leptin. In the long‐term cohort, vertebral spine BMD rapidly declined after OVX. At termination, the OVX rats had decreased plasma bone turnover markers of CTX‐1 and TRAP when compared with sham rats. Significantly higher BMD was found in OVX rats fed the HF/HS diet compared with ND, but this difference was not recapitulated in intact rats. BMD of right femur was significantly increased 5% to 10% by GSM in the short‐term cohort. The data demonstrated that obesity can be beneficial by increasing BMD in OVX rats, and this may extrapolate to postmenopausal women as adipocyte‐produced estrogen may slightly compensate for the reduction in ovarian hormones. Finally, the data showed that GSM may be beneficial to bone health by increasing BMD accrual. © 2021 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo
Authors: Popov Ilya V. , Kushnir Timofei S. , Tchougréeff Andrei L. 
Published: October 2021

AbstractWe present a software package GoGreenGo—an overlay aimed to model local perturbations of periodic systems due to either chemisorption or point defects. The electronic structure of an ideal crystal is obtained by worldwide‐distributed standard quantum physics/chemistry codes, and then processed by various tools performing projection to atomic orbital basis sets. Starting from this, the perturbation is addressed by GoGreenGo with use of the Green's functions formalism, which allows evaluating its effect on the electronic structure, density matrix, and energy of the system. In the present contribution, the main accent is made on processes of chemical nature, such as chemisorption or doping. We address a general theory and its computational implementation supported by a series of test calculations of the electronic structure perturbations for benchmark model solids: simple, face‐centered, and body‐centered cubium systems. In addition, more realistic problems of local perturbations in graphene lattice, such as lattice substitution, vacancy, and “on‐top” chemisorption, are considered.