bluuebunny/crossref_metadata_2025_split huggingface dataset:
Donor‐Acceptor Tribenzotriquinacene‐Based Molecular Wizard Hats Bearing Three ortho‐Benzoquinone Units
Authors: Hung Tsz‐Yu , Kuck Dietmar , Chow Hak‐Fun 
Published: December 2022

AbstractTwo π‐extended bay‐bridged tribenzotriquinacenes (“TBTQ wizard hats”) 12 and 16 bearing three mutually conjugated, alternating veratrole‐type and ortho‐benzoquinone units were synthesized. The electronic properties of these complementarily arranged, nonplanar push‐pull systems are affected by the fusion with the rigid, C3‐symmetric TBTQ core to a different extent, as revealed by X‐ray structural analysis, UV‐vis spectroscopy and cyclovoltammetry. The combination of three quinone units within the original TBTQ core and three veratrole‐type bay bridging units in 12 gives rise to a more efficiently π‐conjugated chromophore, as reflected by the shallower shape of wizard hat and its absorption in the visible up to 750 nm in comparison to 16. Congener 12 contains an aromatic 18‐π electron system in contrast to the cross‐conjugated analog 16. X‐ray structure analysis of the precursor dodecaether 15 revealed the formation of a cage‐like supramolecular dimer, in which the peripheral dioxane‐type ether groups interlace by twelve noncovalent C−H⋅⋅⋅⋅⋅O bonds.
Nonmetallic Nitrogen‐Doped MnO2 as Highly Efficient Oxygen Electrocatalyst for Rechargeable Zinc‐Air Batteries
Authors: Zhang Wenlong , Xie Shilei , Wang Shoushan , Zhao Peng , Yang Xiaoman , Huang Peng , Liu Peng , Cheng Faliang 
Published: December 2022

AbstractZinc‐air batteries (ZABs) have been considered as one of the most promising energy storage devices to solve the problem of energy crisis and environmental pollution. In this work, we reported the synthesis of nitrogen‐doped MnO2 (N‐MnO2) to replace the noble metal electrocatalysts for air cathode in ZABs. The doped N atoms here introduced more Mn3+ and oxygen vacancies for MnO2, enhancing charge transfer property and accelerating surface intermediate product during the oxygen reduction reaction (ORR). Hence, the best N‐MnO2 achieved remarkable electrocatalytic activities towards ORR (half‐wave potential of 0.797 V vs. RHE), and reversible oxygen overpotential of around 0.842 V, which is better than or comparable to the Pt/C and Mn‐based catalysts reported recently. Moreover, the homemade ZABs based on N‐MnO2 showed the maximum power density of 132.8 mW cm−2 and excellent cyclic stability.
NaClO‐Mediated Cross Installation of Indoles and Azoles Benefits Anticancer Hit Discovery
Authors: Yu Changjun , E. Ruiyao , Zhang Xiao‐Wei , Hu Wen‐Qian , Bao Guangjun , Li Yiping , Liu Yuyang , He Zeyuan , Li Jingyue , Ma Wen , Mou Ling‐Yun , Wang Rui , Sun Wangsheng 
Published: December 2022

AbstractInnovations in synthetic chemistry have a profound impact on the drug discovery process, and will always be a necessary driver of drug development. As a result, it is of significance to develop novel simple and effective synthetic installation of medicinal modules to promote drug discovery. Herein, we have developed a NaClO‐mediated cross installation of indoles and azoles, both of which are frequently encountered in drugs and natural products. This effective toolbox provides a convenient synthetic route to access a library of N‐linked 2‐(azol‐1‐yl) indole derivatives, and can be used for late‐stage modification of drugs, natural products and peptides. Moreover, biological screening of the library has revealed that several adducts showed promising anticancer activities against A549 and NCI‐H1975 cells, which give us a hit for anticancer drug discovery.
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development
Authors: Komissarov Leonid , Krep Lukas , Schmalz Felix , Kopp Wassja A. , Leonhard Kai , Verstraelen Toon 
Published: December 2022

AbstractThis work presents a novel parametrization for the ReaxFF formalism as a means to investigate reaction processes of chlorinated organic compounds. Force field parameters cover the chemical elements C, H, O, Cl and were obtained using a novel optimization approach involving relaxed potential energy surface scans as training targets. The resulting ReaxFF parametrization shows good transferability, as demonstrated on two independent ab initio validation sets. While this first part of our two‐paper series focuses on force field parametrization, we apply our parameters to the simulation of chlorinated dibenzofuran formation and decomposition processes in Part II.
Pogroms in Kraków in 1918 and 1945: Historical analysis
Authors: Cichopek‐Gajraj Anna 
Published: December 2022

AbstractWhat can a temporal comparison of two pogroms in the same city in the wake of two vastly different military conflicts reveal about context and function of anti‐Jewish violence? What can it tell us about historical continuity and change? These questions frame the history below which focuses on two pogroms in the city of Kraków on April 16, 1918, and August 11, 1945. This article argues that in both cases perpetrators perceived the state as failing to meet their basic economic, national, and moral expectations after the wars which left political and social chaos, economic ruin, and dismal law and order. To address the state's failings and restore the “moral balance,” the perpetrators targeted the Jews whom they perceived as the state's beneficiaries. After the Second World War, the violence only intensified when the medieval myth of ritual murder reemerged, and Jewish women and children became the targets of aggression. This change can only be explained by the specific context of WWII when redemptive antisemitism of Nazi propaganda and the daily practice of genocide stripped Jews of the remains of their humanity thus marking them as the ultimate threat to Polish survival.
Top‐down and bottom‐up strategies for the implementation of corporate social responsibility: A qualitative survey of an internationalITservices company
Authors: Gotsch Matthias , Gandenberger Carsten , Serafimov Luisa , Miemiec Mathias 
Published: December 2022

AbstractDespite a large body of research on corporate social responsibility (CSR), there has been little research on the actual implementation of CSR strategies in companies. Therefore, this article examined top‐down and bottom‐up approaches for implementing sustainability at company level. For our survey, we chose a large IT services company, which is one of the global leaders in the Software as a Service (SaaS) business. Based on theoretical foundations, namely the Social Identity Theory and the Social Exchange Theory, six interviews were conducted with employees and managers of the company. Our results show that the company's vision and values strongly influence the employees' sustainable work activities and behavior. In addition, the employees also have options for shaping the sustainability strategy within the framework they are given. Concluding, the article shows the advantages of integrating both top‐down and bottom‐up approaches, and identifies options for companies implementing sustainability.
Edible insects: Tendency or necessity (a review)
Authors: Papastavropoulou Konstantina , Xiao Jianbo , Proestos Charalampos 
Published: December 2022

AbstractEating insects has been a widespread habit in many cultures for many years. Edible insects represent an innovative food source with many advantages that will help the problem of protein and energy shortages created by the rapid growth of the world population. Using insects as food can increase the economy and help protect the environment and the human survival. Their nutritional value is excellent, since according to many studies insects have high protein content, high concentrations of various essential amino acids, a well‐balanced fatty acid profile, with a high content of monounsaturated, polyunsaturated fatty acids and many minerals, trace elements, and vitamins. However, there are several risks in the use of edible insects, which need to be researched more extensively. Main goals are to spread knowledge and change the process of obtaining edible insects in better and safer ways. So that the edible insect food industry can develop on a solid basis, through the expansion of the composition of the insects already used and the future legalization of new species of edible insects as well as the establishment of additional legislative frameworks for the breeding, development, processing, storage, and safety of these innovative new foods.
Predictors of bleeding events in acute decompensated heart failure patients with antithrombotic therapy: AURORA study
Authors: Kawanami Shodai , Egami Yasuyuki , Sugae Hiroki , Ukita Kohei , Kawamura Akito , Nakamura Hitoshi , Matsuhiro Yutaka , Yasumoto Koji , Tsuda Masaki , Okamoto Naotaka , Matsunaga‐Lee Yasuharu , Yano Masamichi , Nishino Masami , Tanouchi Jun 
Published: December 2022

AbstractAimsHeart failure (HF) is reported to be one of the major risks of bleeding events. On the other hand, HF patients frequently receive anticoagulants or antiplatelet therapy to manage various co‐morbidities. However, predictors of bleeding events in patients with HF have rarely been reported. This study aimed to evaluate the predictors of bleeding events and relationship between bleeding events and HF re‐hospitalizations.Methods and resultsWe included 1660 acute decompensated heart failure (ADHF) patients from the AURORA registry between January 2015 and December 2020. A total of 1429 patients were excluded because of history of HF admission, missing echocardiographic data at discharge, lost to follow‐up, haemodialysis and no antithrombotic drugs. Finally, we evaluated 231 patients from AURORA registry. The bleeding events were defined as Type 2 to 5 bleeding according to the Bleeding Academic Research Consortium definition. We divided our patients into the bleeding group and non‐bleeding group. We compared the baseline characteristics, medications, laboratory data, and echocardiographic data between the two groups. Median age was 78 (IQR 71–82) years old and male accounted for 59%. Approximately half of the patients had an antiplatelet therapy and 70% had an anticoagulant therapy. During a median follow‐up of 651 (IQR 357–1139) days, 32 patients (13.8%) suffered from bleeding events. The major driver of the registered events was gastrointestinal bleeding (n = 21, 65.6%), and the other events were cerebral bleeding (n = 4, 12.5%), intraarticular bleeding (n = 2, 6.3%), urogenital bleeding (n = 2, 6.3%), haemorrhagic pericardial effusions (n = 1, 3.1%), subcutaneous hematomas (n = 1, 3.1%), and haemothorax (n = 1, 3.1%). There was a significantly lower haemoglobin level (P < 0.01), higher proportion of inferior vena cava (IVC) diameter ≥21 mm (P < 0.01), and higher furosemide equivalent doses per kilogram (P < 0.01) in the bleeding group than non‐bleeding group. A multivariate analysis revealed an equivalent dose of furosemide per kilogram ≥0.66 mg/kg (hazard ratios (HR) of 2.64, 95% confidence interval (CI) 1.26–5.68, P = 0.01), haemoglobin ≤10.3 g/dL (HR of 2.43, 95% CI 1.14–5.03, P = 0.02), and IVC diameter ≥21 mm (HR of 2.79, 95% CI 1.16–6.29, P = 0.02) were independently associated with bleeding events. The Kaplan–Meier analysis showed that HF re‐hospitalization rates were higher in the bleeding group than non‐bleeding group (P = 0.04).ConclusionsHigh doses of oral loop diuretics, IVC dilatation, and anaemia were predictors of bleeding events in patients hospitalized with ADHF patients. In addition, bleeding events were associated with HF re‐hospitalizations.
Amorphous Co‐P Film: an Efficient Electrocatalyst for Hydrogen Evolution Reaction in Alkaline Seawater
Authors: Liang Yimei , Zhang Longcheng , Liu Qin , Ouyang Ling , Luo Yongsong , Zheng Dongdong , Wang Yan , Sun Shengjun , Wang Xiangguo , Zhang Jing , Xu Chenggang , Sun Xuping 
Published: December 2022

AbstractSeawater electrolysis is considered an attractive alternative to conventional freshwater electrolysis for hydrogen production due to the abundance of seawater in nature. For this reason, efficient electrocatalysts for hydrogen evolution reaction (HER) in alkaline seawater are highly desired. In this study, we report an amorphous Co−P alloy on nickel foam (Co−P/NF) that behaves as an efficient and stable HER electrocatalyst for alkaline seawater electrolysis. The Co−P/NF presents high catalytic performance for HER, requiring a low overpotential of 213 mV to drive a current density of 100 mA cm−2 and a Tafel slope of 120.2 mV dec−1 in alkaline seawater. Furthermore, it shows remarkable electrochemical and structural stability in alkaline seawater.
Experimental behavior of truss‐confined buckling‐restrained braces
Authors: Wu An‐Chien , Tsai Keh‐Chyuan , Chen Chun , Chen Lu‐An , Lin Yu‐Cheng 
Published: December 2022

AbstractBuckling‐restrained braces (BRBs) can effectively improve the stiffness, strength, and energy dissipation capacity of building structures. The key feature of the proposed truss‐confined BRB (TC‐BRB) is an additional truss confining system attached outside the central steel casing. The truss system is composed of several steel open‐web truss frames, thereby providing the required restraining rigidity and reducing the central casing section size and infilled mortar. The overall self‐weight is decreased compared with a conventional BRB, especially in cases of long‐span and large force capacity BRB applications. This research program was conducted to investigate the hysteresis behavior of the TC‐BRBs in terms of truss member response, buckling resisting ability, and cumulative deformation capacity. Six one‐third‐scale TC‐BRB specimens, each 6.3 m long and with different yield capacities, truss frame shapes and sizes, were tested using cyclically increasing loads with or without an out‐of‐plane end drift. The six specimens eventually failed either from global flexural buckling of the entire restraining system or a tensile fracture of the steel core at a very large axial strain. The experimental results demonstrated that the TC‐BRBs can be designed and fabricated to have a very stable and highly repeatable hysteretic response, meeting the American Institute of Steel Construction acceptance criteria. It provides a valuable database to support the further development of design guidelines for the engineering application of the proposed TC‐BRBs.
Reinforced moment‐resisting glulam bolted connection with coupled long steel rod with screwheads for modern timber frame structures
Authors: Shu Zhan , Ning Bo , Chen Jiaxin , Li Zheng , He Minjuan , Luo Jing , Dong Hanlin 
Published: December 2022

AbstractCurrently, there is no “timber moment frame structural system,” as the basic glulam beam‐to‐column connections (usually represented by the bolted connections with slotted‐in steel plates) offer limited rotational stiffness such that they are usually treated as pin connections. This paper proposes an innovative type of moment‐resisting glulam beam‐to‐column connection reinforced by long steel rods with screwheads (LSRSs) and long self‐tapping screws (STSs). The motivation is to provide a stiff yet resilient beam‐to‐column connection that could possibly be used for the mid‐rise timber moment frame structural system without the need of shear walls or braces. Six specimens with different diameters of LSRSs were designed and experimentally tested to explore their rotational stiffness, moment‐resisting capacities, hysteretic moment‐rotation responses, and the associated failure modes. Results indicated that the proposed connection could provide not only a satisfying moment resistance, but also the energy dissipation and fast repairability that is related with structural seismic resilience. The design procedures and recommendations for the proposed connection were also provided based on the tested results. The presented experimental study serves as a handy reference for future designs and applications of the proposed connection in practical engineering projects.
Emotional Intimacy and the Black Matrifocal Family in Northeast Brazil
Authors: Medeiros Melanie 
Published: December 2022

AbstractIn this article, I explore the affective landscape of matrifocal kinship in Brogodó to examine how the emotional intimacy that Black women shared with their women kin buffered the effects of unmet marital expectations, marital conflict, and divorce. I describe how women viewed their relationships with their families as a source of love and emotional intimacy that was more reliable and fulfilling than what they could expect from husbands who did not meet the romantic love ideal. Research that relies too heavily on functional assumptions about the relationship between matrifocality and marriage dissolution misses how the desire for emotional intimacy influences women's perspectives on and decision‐making around marriage dissolution. I argue that women's reliance on consanguineal kin as an affective alternative to romantic love and companionate marriage was a critical factor in their decisions to end their marriages. I also assert that rather than weakening extended family ties, in Brogodó the spread of notions of romantic love and companionate marriage strengthened the matrifocal family model by reinforcing women's views that consanguineal rather than affinal kin were at the center of their worlds.
Examining coping and nonsuicidal self‐injury among adolescents: A profile analysis
Authors: Giordano Amanda L. , Prosek Elizabeth A. , Schmit Erika L. , Schmit Michael K. 
Published: December 2022

AbstractUsing a quasi‐experimental, cross‐sectional design, we examined coping differences among American adolescents who reported a history of nonsuicidal self‐injury (NSSI; n = 90, 25.7%) and those without a history of NSSI (n = 260, 74.3%). Findings from a profile analysis indicated that a measurable difference in coping profiles may exist between those with a history of NSSI and those without a history of NSSI. Specifically, adolescents who have a history of NSSI appear to rely upon, at higher rates, maladaptive methods of coping, including acting out and rumination, in comparison to adolescents who have never engaged in NSSI, who appear to rely upon adaptive methods of coping, including distraction and self‐care, at higher rates. No meaningful difference was apparent between groups on seeking social support as a method of coping. These findings confirm the importance of assessing and enhancing effective coping strategies among adolescent clients who self‐injure and potentially utilizing coping skill enhancement strategies as a form of NSSI prevention.
Inhibition of sPLA2 enzyme activity by cell‐permeable antioxidant EUK‐8 and downregulation of p38, Akt, and p65 signals induced by sPLA2 in inflammatory mouse paw edema model
Authors: Jayachandra Krishnegowda , Gowda M. D. Milan , Rudresha Gotravalli V. , Manjuprasanna Vaddarahally N. , Urs Amog P. , Nandana Manuganahally Basavarajappa , Bharatha Madeva , Jameel Noor Mohamed , Vishwanath Bannikuppe S. 
Published: December 2022

AbstractThe arachidonic acid (AA) metabolic pathway, plays a vital role in the production of eicosanoids by the action of pro‐inflammatory secretory phospholipase A2 (PLA2). Release of eicosanoids is known to be involved in many inflammatory diseases. Identification of the inhibitory molecules of this AA pathway enzyme along with the regulation of intracellular signaling cascades may be a finer choice to develop as a powerful anti‐inflammatory drug. In this regard, we have screened few cell‐permeable antioxidant molecules Tempo, Mito‐TEMPO, N,N'‐Bis(salicylideneamino)ethane‐manganese(II) (EUK)‐134, and EUK‐8 against pro‐inflammatory sPLA2s. Among these, we found EUK‐8 is a potent inhibitor with its IC50 value ranges 0.7–2.0 µM for sPLA2s isolated from different sources. Furthermore, docking studies confirm the strong binding of EUK‐8 towards sPLA2. In vivo effect of EUK‐8 was studied in HSF‐sPLA2‐induced edema in mouse paw model. In addition to neutralizing the edema, EUK‐8 significantly reduces the phosphorylation level of inflammatory proteins such as p38 member of MAPK pathway, Akt, and p65 along with the suppression of pro‐inflammatory cytokine (interleukin‐6) and chemokine (CXCL1) in edematous tissue. This shows that EUK‐8 not only inhibits the sPLA2 activity, it also plays an important role in the regulation of sPLA2‐induced cell signaling cascades. Apart from the sPLA2 inhibition, we also examine the regulatory actions of EUK‐8 with other downstream enzymes of AA pathway such as 5‐LOX assay in human polymorphonuclear leukocytes (PMNs) and COX‐2 expression in carrageenan‐λ induced paw edema. Here EUK‐8 significantly inhibits 5‐LOX enzyme activity and downregulates COX‐2 expression. These data indicate that EUK‐8 found to be a promising multitargeted inhibitory molecule toward inflammatory pathway. In conclusion, mitochondrial targeted antioxidant EUK‐8 is not only the powerful antioxidant, also a potent anti‐inflammatory molecule and may be a choice of molecule for pharmacological applications.
Discriminating and understanding molecular crystal polymorphism
Authors: Chen Bozhu , Xu Xin 
Published: December 2022

AbstractPolymorph discrimination for a molecular crystal has long been a challenging task, which, nonetheless, is a major concern in the pharmaceutical industry. In this work, we have investigated polymorph discrimination on three different molecular crystals, tetrolic acid, oxalic acid, and oxalyl dihydrazide, covering both packing polymorphism and conformational polymorphism. To gain more understanding, we have performed energy decomposition analysis based on many‐body expansion, and have compared the results from the XO‐PBC method, that is, the eXtended ONIOM method (XO) with the periodic boundary condition (PBC), with those from some commonly used dispersion corrected density functional theory (DFT‐D) methods. It is shown here that, with the XYG3 doubly hybrid functional chosen as the target high level to capture the intra‐ and short‐range intermolecular interactions, and the periodic PBE as the basic low level to take long range interactions into account, the XO‐PBC(XYG3:PBE) method not only obtains the correct experimental stability orderings, but also predicts reasonable polymorph energy ranges for all three cases. Our results have demonstrated the usefulness of the present theoretical methods, in particular XO‐PBC, while highlighted the importance of a better treatment of different kinds of interactions to be beneficial to polymorph control.
Predictors of e‐waste: Considerations for community psychology prevention and intervention
Authors: Swanson Helena L. , Ferrari Joseph R. 
Published: December 2022

AbstractE‐waste, the overabundance of unused technology products, is a growing issue as new technology is rapidly innovated and our society promotes the need to always have the “latest and greatest” products. Community psychology, as a field, is concerned with the global climate crisis, and subsequently must be concerned with e‐waste. This study tested predictors of individual's likelihood to recycle e‐waste with 883 US adults (459 males, 420 females, 3 other/nonbinary; 62.7% 54‐year‐old or younger) through a crowdsourcing procedure. Similar to previous recycling literature, the present study found that personal norms, subjective norms, and perceived behavioral control positively predicted the likelihood for an individual to recycle; however, the present study provides further empirical evidence for these relationships and expands recycling literature by focusing on e‐waste recycling. Implications for the field of community psychology with preventive and interventive actions are detailed.