bluuebunny/crossref_metadata_2025_split huggingface dataset:
A computational framework for homogenization and multiscale stability analyses of nonlinear periodic materials
Authors: Zhang Guodong , Feng Nan , Khandelwal Kapil 
Published: August 2021

AbstractThis article presents a consistent computational framework for multiscale first‐order finite strain homogenization and stability analyses of rate‐independent solids with periodic microstructures. The homogenization formulation is built on a priori discretized microstructure, and algorithms for computing the matrix representations of the homogenized stresses and tangent moduli are consistently derived. The homogenization results lose their validity at the onset of first bifurcation, which can be computed from multiscale stability analysis. The multiscale instabilities include: (a) microscale structural instability calculated by Bloch wave analysis; and (b) macroscale material instability calculated by rank‐1 convexity checks on the homogenized tangent moduli. Implementation details of the Bloch wave analysis are provided, including the selection of wave vector space and the retrieval of real‐valued buckling mode from complex‐valued Bloch wave. Three methods are detailed for solving the resulted constrained eigenvalue problem—two condensation methods and a null‐space projection method. Both the homogenization and stability analyses are verified using numerical examples including hyperelastic and elastoplastic periodic materials. Various microscale buckling phenomena are demonstrated. Aligned with theoretical results, the numerical results show that the microscopic long wavelength buckling can be equivalently detected by the loss of rank‐1 convexity of the homogenized tangent moduli.
Switch From Pauli‐Lowering to LUMO‐Lowering Catalysis in Brønsted Acid‐Catalyzed Aza‐Diels‐Alder Reactions
Authors: Yu Song , Bickelhaupt F. Matthias , Hamlin Trevor A. 
Published: August 2021

AbstractBrønsted acid‐catalyzed inverse‐electron demand (IED) aza‐Diels‐Alder reactions between 2‐aza‐dienes and ethylene were studied using quantum chemical calculations. The computed activation energy systematically decreases as the basic sites of the diene progressively become protonated. Our activation strain and Kohn‐Sham molecular orbital analyses traced the origin of this enhanced reactivity to i) “Pauli‐lowering catalysis” formono‐protonated 2‐aza‐dienes due to the induction of an asynchronous, but still concerted, reaction pathway that reduces the Pauli repulsion between the reactants; and ii) “LUMO‐lowering catalysis” formulti‐protonated 2‐aza‐dienes due to their highly stabilized LUMO(s) and more concerted synchronous reaction path that facilitates more efficient orbital overlaps in IED interactions. In all, we illustrate how the novel concept of “Pauli‐lowering catalysis” can be overruled by the traditional concept of “LUMO‐lowering catalysis” when the degree of LUMO stabilization is extreme as in the case ofmulti‐protonated 2‐aza‐dienes.
Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules
Authors: Iribarren Iñigo , Sánchez‐Sanz Goar , Elguero José , Alkorta Ibon , Trujillo Cristina 
Published: August 2021

AbstractInvited for this month's cover picture is the group of Dr. Cristina Trujillo at the Trinity Biomedical Sciences Institute in Dublin (Ireland) and Prof. Ibon Alkorta at the CSIC in Madrid (Spain). The cover picture shows the possibility of reversibly storing hydrogen using metallic compounds as reactants to produce H2 gas and metallic dimers. Computational studies have been carried out to investigate these processes, as shown in the concept art by the Schrödinger equation. It was found that the formation and release of H2 is energetically favorable. These results are a promising starting point for further research of using coinage metals for storing hydrogen in light compounds. Read the full text of their Full Paper at 10.1002/open.202100108.
Immiscible PHB/PBS and PHB/PBSA blends: morphology, phase composition and modelling of elastic modulus
Authors: Righetti Maria Cristina , Cinelli Patrizia , Aliotta Laura , Bianchi Elisa , Tricoli Fabio , Seggiani Maurizia , Lazzeri Andrea 
Published: August 2021

AbstractThis paper reports the thermal, morphological and mechanical properties of environmentally friendly poly(3‐hydroxybutyrate) (PHB)/poly(butylene succinate) (PBS) and PHB/poly[(butylene succinate)‐co‐(butylene adipate)] (PBSA) blends, prepared by melt mixing. The blends are known to be immiscible, as also confirmed by the thermodynamic analysis here presented. A detailed quantification of the crystalline and amorphous fractions was performed, in order to interpret the mechanical properties of the blends. As expected, the ductility increased with increasing PBS or PBSA amount, but in parallel the decrease in the elastic modulus appeared limited. Surprisingly, the elastic modulus was found properly described by the rule of mixtures in the whole composition range, thus attesting mechanical compatibility between the two blend components. This unusual behavior has been explained as due to co‐continuous morphology, present in a wide composition range, but also at the same time as the result of shrinkage occurring during sequential crystallization of the two components, which can lead to physical adhesion between matrix and dispersed phase. For the first time, the elastic moduli of the crystalline and mobile amorphous fractions of PBS and PBSA and of the mobile amorphous fraction of PHB at ambient temperature have been estimated through a mechanical modelling approach. © 2021 The Authors. Polymer International published by John Wiley & Sons Ltd on behalf of Society of Industrial Chemistry.
Racial and ethnic amputation level disparities in veterans undergoing incident dysvascular lower extremity amputation
Authors: Hurwitz Max , Norvell Daniel C. , Czerniecki Joseph M. 
Published: August 2021

AbstractBackgroundThe choice of incident amputation level can have a profound effect on clinical outcomes. Amputations at the transmetatarsal (TM) or transtibial (TT) levels result in greater preservation of function and mobility, whereas transfemoral (TF) amputations typically result in a greater adverse impact. Prior investigations have explored racial/ethnic and regional variation in incident amputation level. This study overcomes some of the methodological limitations seen in prior research through the use of a large national, multiyear veteran sample and by including only those who have undergone an incident amputation.Objectives(1) Determine if there are national/regional differences in the frequency of incident TF amputation compared with TM and TT amputation, (2) Determine if race/ethnicity and geographic region are associated with incident TF amputation level, and (3) Determine if racial/ethnic disparities of incident TF amputation differ by the presence of diabetes or prior revascularization.DesignRetrospective cohort study of veterans undergoing an incident dysvascular lower extremity amputation.SettingOne hundred ten Veterans Affairs (VA) Medical Centers.ParticipantsSeven thousand two hundred ninety‐six Veterans undergoing incident unilateral dysvascular lower extremity amputation identified in the Veterans Affairs Surgical Quality Improvement Program (VASQIP) database (2005–2014).InterventionsNot applicable.Main Outcome MeasureIncident amputation level.ResultsThe White, Black, and Hispanic risk for an incident TF amputation was 31% (n = 1356), 35% (n = 810), and 46% (n = 293), respectively. In the Continental region, Blacks who had not had a prior revascularization were more likely to undergo a TF amputation compared to Whites both with and without diabetes (odds ratio [OR] = 1.4; 95% confidence interval [CI], 1.1, 1.9 and OR = 1.5; 95% CI, 1.1, 2.1, respectively). In the Southeast region, Hispanics compared with Whites were at increased odds of undergoing a TF amputation, irrespective of a diabetes or a prior revascularization (ORs ≥ 2.9).ConclusionsRacial and ethnic disparities exist in choice of proximal compared with distal amputation in specific VA geographic regions.
The interdisciplinary management of coccydynia: A narrative review
Authors: White William D. , Avery Melinda , Jonely Holly , Mansfield John T. , Sayal Puneet K. , Desai Mehul J. 
Published: August 2021

AbstractPain that develops in the coccyx or surrounding tissues is known as coccydynia, which occurs as a result of many etiologies both traumatic and nontraumatic. Although coccydynia most commonly affects middle‐aged women, it may be found in both sexes and in all age groups. The aim of this article is to provide an overview of the presentation, diagnostic imaging, and pathophysiology of coccydynia, and to comprehensively review the current treatment options. A review of publications from 1990 to 2020 using search words related to the treatment of coccydynia in PubMed and Google Scholar was completed. Level II evidence was found supporting stretching, manipulation, and extracorporeal shock wave therapy. There are no data from high‐quality studies to support injection‐based therapy including corticosteroids, prolotherapy, nerve blocks, and radiofrequency ablation, although there are small retrospective and prospective observational studies suggesting benefit. Level III evidence was found supporting coccygectomy for chronic/refractory coccydynia. There are no data from randomized controlled trials to support the use of neuromodulation (sacral burst and dorsal root ganglion stimulation), although there are case reports suggesting benefit. High‐level, comparative studies are lacking to guide the treatment of coccydynia and should be a focus for future research studies.
Decrease in serum anti‐Müllerian hormone level per puncture with laparoscopic ovarian drilling using ultrasonically activated device
Authors: Ogawa Shuichi , Atsuki Yusuke , Shimada Kazuhiko , Motoyama Mitsuhiro , Suzuki Tatsuya , Fujiwara Hiroyuki 
Published: August 2021

AbstractPurposeTo determine the contributing factor in infertility treatment with laparoscopic ovarian drilling (LOD) to the decrease in serum anti‐Müllerian hormone (AMH) levels in patients with polycystic ovarian syndrome using an ultrasonically activated device.MethodsA retrospective analysis was performed in 60 patients (aged 23–36 years) who received 25–120 punctures in each ovary with LOD treatment from January 2014 to December 2018.ResultsThe mean decrease in serum AMH level per puncture with LOD was 0.07 ± 0.04 ng/ml in all 60 patients and 0.08 ± 0.04 ng/ml in patients with ≥10 ng/ml preoperative serum AMH level, which was significantly higher than in those with <10 ng/ml (0.05 ± 0.02 ng/ml). The mean decrease in serum AMH level per puncture in patients with body mass index (BMI) < 18.5 kg/m2 (0.10 ± 0.03 ng/ml) was significantly higher than in those with BMI 18.5–25 kg/m2 (0.07 ± 0.04 ng/ml) and >25 kg/m2 (0.06 ± 0.02 ng/ml).ConclusionsThe mean decrease in serum AMH levels per puncture with LOD using an ultrasonically activated device depends on the preoperative serum AMH level and BMI of patients.
Mesoporous Yolk‐Shell Structured Organosulfur Nanotubes with Abundant Internal Joints for High‐Performance Lithium–Sulfur Batteries by Kinetics Acceleration
Authors: Chang Wei , Qu Jin , Li Wei , Liu Yu‐Hao , Zhai Xian‐Zhi , Liu Hong‐Jun , Kang Yu , Yu Zhong‐Zhen 
Published: August 2021

AbstractAlthough organosulfur compounds can protect lithium anodes, participate in the redox reaction, and suppress the shuttle effect, the sluggish electrochemical dynamics of their bulk structure and the notorious shuttle effect of covalent long‐chain sulfurs largely impede their actual applications. Herein, sulfurized carbon nanotube@aminophenol‐formaldehyde (SC@A) with covalently linked short‐chain sulfurs is firstly synthesized by in situ polymerization of aminophenol‐formaldehyde (AF) on the surface of carbon nanotubes (CNTs) followed by acetone etching and inverse sulfurization processes, forming mesoporous yolk‐shell organosulfur nanotubes with abundant internal joints between the yolk of CNTs and the shell of sulfurized AF for the first time. In situ Raman spectra, in situ XRD patterns, and ex situ XPS spectra verify that the covalent short‐chain sulfurs bring about a reversible solid‐solid conversion process of sulfur, thoroughly avoiding the shuttle effect. The mesoporous yolk‐shell structure with abundant internal joints can effectively accommodate the volume change, fully expose active sites and efficiently improve the transport of electrons and lithium ions, thus highly promoting the solid–solid electrochemical reaction kinetics. Therefore, the SC@A cathode exhibits a superior specific capacity of 841 mAh g−1 and a capacity decay of 0.06% per cycle within 500 cycles at a large current density of 5.0 C.
The Sustainability of Energy Conversion Inhibition for Tumor Ferroptosis Therapy and Chemotherapy
Authors: Jiang Wei , Luo Xingyu , Wei Lulu , Yuan Shanmei , Cai Jianfeng , Jiang Xiqun , Hu Yong 
Published: August 2021

AbstractThe hyperactive energy metabolism mostly contributes the tumor cells growth and proliferation. Herein, the intelligent nanoparticles (P‐B‐D NPs) obtained by loading BAY‐876 and doxorubicin (Dox)‐Duplex into nanoparticles composed of disulfide bond (SS) containing polymer are reported, which provide an efficient resistance of tumor cells energy metabolism and tumor growth to conquer malignant tumor. In response to the reducing microenvironment of tumor tissue, the SS bond can be disintegrated by intracellular glutathione to block the synthesis of lipid repair enzyme‐glutathione peroxidase 4 for ferroptosis therapy. More importantly, the released BAY‐876 can inhibit the functionality of glucose transporter 1, restricting the glucose uptake of tumor cells to a low energy metabolism status. Meanwhile, Dox‐Duplex can interact with ATP to reduce intracellular ATP content and release Dox to kill tumor cells. Collectively, this work offers a new idea for restricting tumor cells energy metabolism to inhibit their proliferation.
Inhibition of zinc finger protein 367 exerts a tumor suppressive role in colorectal cancer by affecting the activation of oncogenic YAP1 signaling
Authors: Lei Ting , Gao Ya , Duan Yuhong , Cui Chunli , Zhang Li , Si Mingming 
Published: August 2021

AbstractZinc finger protein 367 (ZNF367) has been documented as a new cancer‐related protein that exerts a pivotal role in the carcinogenesis of multiple cancers. However, whether ZNF367 plays a role in colorectal cancer has not been fully understood. Our data showed that ZNF367 expression was higher in colorectal cancer. Depletion of ZNF367 weakened the proliferative and invasive capabilities of colorectal cancer cells. Up‐regulation of ZNF367 enhanced the in vitro malignant features of colorectal cancer cells. Knockdown of ZNF367 impeded the activation of Yes‐associated protein (YAP1). Reactivation of YAP1 reversed the ZNF367‐knockdown‐mediated anticancer effects. Suppression of YAP1 significantly abolished ZNF367‐overexpression‐induced tumor‐promotion effects. Depletion of ZNF367 repressed the tumorigenicity of colorectal cancer cells in vivo. These findings demonstrate that ZNF367 is overexpressed in colorectal cancer and acts as a potential tumor‐promoter that contributes to the proliferation and invasion of colorectal cancer by enhancing the activation of YAP1 signaling.
Conflict Management, International Parliamentary Assemblies and Small States: The Cases of Georgia and Moldova
Authors: Gawrich Andrea 
Published: August 2021

AbstractThe parliamentary assemblies of the Organization for Security and Cooperation in Europe and the Council of Europe have reputations as bridge-building institutions between western and post-socialist countries. However, territorial disputes between member states pose a challenge to the parliamentary diplomacy of these international parliamentary institutions (IPIs). This article examines how IPIs address conflicts in the cases of two small states facing “frozen” secessionist conflicts, where Russia’s hegemony is involved, namely Georgia with its territorial disputes in South Ossetia and Abkhazia along with Moldova and its secessionist dispute with Transnistria. This contribution unpacks IPI strategies by applying conceptual approaches from parliamentary diplomacy, conflict management and small-states literature, as well as the respective arguments on hegemonic strategies.
From Landlocked to Land-Linked? Central Asia’s Place in the Eurasian Economy
Authors: Pomfret Richard 
Published: August 2021

AbstractThe Organization for Security and Co-operation in Europe (OSCE), while primarily a security organisation, has always included economic and human baskets or dimensions. Currently, the Office of the Co-ordinator of OSCE Economic and Environmental Activities operates in four main areas: (1) good governance and anti-corruption, (2) money laundering and financing of terrorism, (3) transport, trade and border-crossing facilitation, and (4) labour migration. This chapter addresses developments in Central Asia since the dissolution of the Soviet Union that are relevant to the third area of OSCE operations. The chapter’s focus is on the potential for the landlocked Central Asian countries to become land-linked, using improved transport connections between East Asia and Europe to promote economic development through export diversification and growth. Rail services across Central Asia improved considerably during the 2010s. They have been resilient, despite strained political relations between Russia and the EU since 2014, and rail traffic between Europe and China continued to increase in 2020 despite the shock of COVID-19. Further infrastructure improvements are promised under China’s Belt and Road Initiative. However, the expanded network has been little used by Central Asian producers to create new international trade, and the improved infrastructure represents a potential opportunity rather than a past benefit. If the Central Asian economies are successful in taking advantage of the opportunity, it will stimulate their trade across the Eurasian region and help economic diversification. The main determinant of success will be national policies and national economic development. The chapter concludes with a discussion of the role of multilateral institutions and, in particular, the prospects for OSCE collaboration with existing fora to promote cooperation and economic development in Central Asia.
“Glocal” Governance in the OSCE Region: A Research Proposal
Authors: Mihr Anja 
Published: August 2021

Abstract“Think global, act locally,” is the essence of glocalization and of glocal governance. Glocal governance means that local stakeholders, such as business, civil society, city councils, authorities and activists actively participate in decision-making processes. Different stakeholders, local, international and domestic ones, make decisions on common rules and regulations while operating, controlling, implementing and enforcing them locally—and wherever needed. Many of these decisions are taken in light of and in accordance with global or international standards. Such standards can be universal UN human rights norms that are, for example, enshrined in international human rights treaties and agreements, and WTO trade norms on tax regulation or copyrights and laws. Global norms can be international customary law, such as humanitarian law or the law of the sea, general guidelines, recommendations or rules and standards on security and elections as set by the OSCE.
The Role of Securitization in the Relationship Between State and Religion—The Example of the Kyrgyz Republic
Authors: Štimac Zrinka , Aslanova Indira 
Published: August 2021

AbstractIn this paper, we discuss the challenges of developing secular framework in relation to religion in Kyrgyzstan, the first Central Asian republic where democratic institutions were established after the collapse of the Soviet Union and which has been strongly challenged in maintaining its democratic achievements during the Tulip Revolution and other revolts in 2010 and 2020. The question we aim to answer is how processes of securitization shape the relationship between state institutions and religious organizations, knowing that Kyrgyzstan is still influenced both by the Soviet understanding of secularism and by models of secularity and governance from countries and societies with different histories and conditions of development. We look at different phases of the relationship between state and religion starting with the regime change and the establishment of a democratic state. Secondly, the establishing of a legal framework for state policy on religious organizations. Thirdly, the time of the adoption of measures to protect the interests of all citizens, believers and non-believers, and the beginning of the process of active influence of state policy on the situation in the religious sphere. And finally, the new (mis)understanding of the relations between the state and religion, both on the side of the state and religious organizations. Our theoretical point of departure is the concept of securitization, and from there on we take a discursive approach focusing on the different actors in this arena, such as state institutions and the various religious organizations and groups.
Anticonvulsant effect of pterostilbene and its influence on the anxiety- and depression-like behavior in the pentetrazol-kindled mice: behavioral, biochemical, and molecular studies
Authors: Nieoczym Dorota , Socała Katarzyna , Zelek-Molik Agnieszka , Pieróg Mateusz , Przejczowska-Pomierny Katarzyna , Szafarz Małgorzata , Wyska Elżbieta , Nalepa Irena , Wlaź Piotr 
Published: August 2021

AbstractRationalePterostilbene is the 3,5-dimethoxy derivative of resveratrol with numerous beneficial effects including neuroprotective properties. Experimental studies revealed its anticonvulsant action in the acute seizure tests.ObjectivesThe purpose of the present study was to evaluate the effect of pterostilbene in the pentetrazol (PTZ)–induced kindling model of epilepsy in mice as well as to assess some possible mechanisms of its anticonvulsant action in this model.MethodsMice were repeatedly treated with pterostilbene (50–200 mg/kg) and its effect on the development of seizure activity in the PTZ kindling was estimated. Influence of pterostilbene on the locomotor activity and anxiety- and depression-like behavior in the PTZ-kindled mice was also assessed. To understand the possible mechanisms of anticonvulsant activity of pterostilbene, γ-aminobutyric acid (GABA) and glutamate concentrations in the prefrontal cortex and hippocampus of the PTZ-kindled mice were measured using LC–MS/MS method. Moreover, mRNA expression of BDNF, TNF-α, IL-1β, IL-6,GABRA1A, andGRIN2Bwas determined by RT-qPCR technique.ResultsWe found that pterostilbene at a dose of 200 mg/kg considerably reduced seizure activity but did not influence the locomotor activity and depression- and anxiety-like behavior in the PTZ-kindled mice. In the prefrontal cortex and hippocampus, pterostilbene reversed the kindling-induced decrease of GABA concentration. Neither in the prefrontal cortex nor hippocampus pterostilbene affected mRNA expression of IL-1β, IL-6,GABRA1A, andGRIN2Baugmented by PTZ kindling. Pterostilbene at a dose of 100 mg/kg significantly decreased BDNF and TNF-α mRNA expression in the hippocampus of the PTZ-kindled mice.ConclusionsAlthough further studies are necessary to understand the mechanism of anticonvulsant properties of pterostilbene, our findings suggest that it might be considered a candidate for a new antiseizure drug.