bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of Liquid Composition and Asphaltene Properties on Asphaltene Aggregation Using Interaction Energies
Authors: Nategh Mahshid , Mahdiyar Hojjat , Malayeri M. Reza , Unz Simon , Beckmann Michael 
Published: June 2021

AbstractAn interaction energy model is employed to discern the roles of liquid composition and asphaltene properties on asphaltene stability. The model determines Lifshitz‐van der Waals (LW) and acid‐base (AB) for two asphaltenes of A and B types with different polarities and synthetic oils with different nC7 volume fractions. The results indicate that the liquid loses its solubility with increased nC7 volume fraction, due to the reduction in its electron donor component. Moreover, at the very beginning of nC7 addition, both asphaltenes show a similar resistance against aggregation, due to the similar rates of change in their LW and AB interaction energies. However, at latter stages of nC7 addition, the two asphaltenes tend to have different precipitation propensities, which is consistent with the results of UV‐vis measurements.
Frustrated Lewis‐Pair Neighbors at the Xanthene Framework: Epimerization at Phosphorus and Cooperative Formation of Macrocyclic Adduct Structures
Authors: Škoch Karel , Daniliuc Constantin G. , Kehr Gerald , Ehlert Sebastian , Müller Marcel , Grimme Stefan , Erker Gerhard 
Published: June 2021

AbstractAttachment of a pair of P‐stereogenic mesityl(alkynyl)phosphanyl groups at the 4‐ and 5‐positions of a 9,9‐dimethylxanthene framework gave mixtures of the respective rac‐ and meso‐bisphosphanyl diastereoisomers. They slowly epimerized in a thermally induced reaction with Gibbs activation barriers of about 25 kcal mol−1 at room temperature (measured and DFT calculated). The reaction of the meso‐mesityl(tert‐butylethynyl)phosphanyl derivative with two molar equivalents of Piers′ borane [HB(C6F5)2] led to the formation of the alkylidene‐bridged geminal bisphosphane/borane‐frustrated Lewis pair system. The compound was obtained enriched (>85 %) in the rac diastereoisomer. With a variety of bifunctional donor substrates, the rac‐bis‐P/B FLP formed macrocyclic compounds. They were all formally derived from meso‐configurated diastereoisomers of the bisphosphanylxanthene backbone.
Molecular Cage Assembly by Sn−O−Sn Bridging of Di‐, Tri‐ and Tetranuclear Organotin Tectons: Extending the Spacing in Double Ladder Structures
Authors: Rojas‐León Irán , Gómez‐Jaimes Gelen , Montes‐Tolentino Pedro , Hiller Wolf , Alnasr Hazem , Rodríguez‐Molina Braulio , Hernández‐Ahuactzi Irán F. , Beltrán Hiram , Jurkschat Klaus , Höpfl Herbert 
Published: June 2021

AbstractHydrolysis reactions of di‐ and trinuclear organotin halides yielded large novel cage compounds containing Sn−O−Sn bridges. The molecular structures of two octanuclear tetraorganodistannoxanes showing double‐ladder motifs, viz., [{Me3SiCH2(Cl)SnCH2YCH2Sn(OH)CH2SiMe3}2(μ‐O)2]2 [1, Y=p‐(Me)2SiC6H4‐C6H4Si(Me)2] and [{Me3SiCH2(I)SnCH2YCH2Sn(OH)CH2SiMe3}2(μ‐O)2]2⋅0.48 I2 [2⋅0.48 I2, Y=p‐(Me)2SiC6H4‐C6H4Si(Me)2], and the hexanuclear cage‐compound 1,3,6‐C6H3(p‐C6H4Si(Me)2CH2Sn(R)2OSn(R)2CH2Si(Me)2C6H4‐p)3C6H3‐1,3,6 (3, R=CH2SiMe3) are reported. Of these, the co‐crystal 2⋅0.48 I2 exhibits the largest spacing of 16.7 Å reported to date for distannoxane‐based double ladders. DFT calculations for the hexanuclear cage and a related octanuclear congener accompany the experimental work.
An evaluation of memory and attention in BRCA mutation carriers using an online cognitive assessment tool
Authors: Kotsopoulos Joanne , Kim Shana J. , Armel Susan , Bordeleau Louise , Foulkes William D. , McKinnon Wendy , Panchal Seema , Cohen Stephanie A. , Sun Sophie , Sun Ping , McKetton Larissa , Troyer Angela K. , Narod Steven A. 
Published: June 2021

BackgroundThe objective of this study was to evaluate the impact of various surgical, hormonal, and lifestyle factors on memory and attention in women with a BRCA1 or BRCA2 mutation.MethodsBRCA mutation carriers enrolled in a longitudinal study were invited to complete an online brain health assessment tool designed to screen for cognitive deficits. Four measures of memory and executive attention were assessed individually, and an overall score was compiled adjusting for age. Exposures, including preventive surgery, hormone use, and lifestyle factors, were captured by questionnaire. Performance on each of the 5 subtasks was analyzed according to various exposures. Analysis of covariance was used to compare overall scores.ResultsIn total, 880 women completed the online cognitive assessment. The average age of the participants was 54 years (range, 23‐86 years). The mean overall test score was 54.4 (range, 0‐93). The individual subtask scores declined with age at test completion (P < .0001) and increased with level of education (P ≤ .01). Women who underwent a preventive oophorectomy had a significantly higher overall score compared with women who did not undergo this surgery (55.5 vs 50.5; P = .01). Reconstructive breast surgery was also associated with a higher overall score (56.5 vs 52.3; P = .005). Chemotherapy and hormone‐replacement therapy were not predictive of the overall score.ConclusionsThese findings are reassuring to high‐risk women who undergo early surgical menopause for their cancer predisposition. Further studies are needed to evaluate cognitive function over time when memory deficits become more prevalent.
A multiprimary lighting system for customized color stimuli
Authors: Yuan Yue , Murdoch Michael J. , Fairchild Mark D. 
Published: June 2021

AbstractIn this article, a dual seven‐primary lighting system is constructed for color research and education. The system offers sufficient spectral variability to approximate the spectral power distribution of a variety of standard illuminants. More importantly, the constructed multiprimary lighting system was verified to have crucial advantages over conventional displays/projectors to probe observer metamerism through the generation of individualized metameric color stimuli. An observer metamerism index to describe the potential for observer metamerism of any generated stimulus pairs with respect to the population variation of color‐normal observers is formulated. The metric is further extended for use in quantifying the potential for observer metamerism of any lighting system or a system‐primary combination. Moreover, 10 pairs of lighting stimuli, customized for exhibiting high degrees of observer variability, were produced using the system as a step toward creating a device for the color matching functions characterization of individual observers, a so‐called observer calibrator.
Mean Convex Mean Curvature Flow with Free Boundary
Authors: Edelen Nick , Haslhofer Robert , Ivaki Mohammad N. , Zhu Jonathan J. 
Published: June 2021

AbstractIn this paper, we generalize White's regularity and structure theory for mean‐convex mean curvature flow [45, 46, 48] to the setting with free boundary. A major new challenge in the free boundary setting is to derive an a priori bound for the ratio between the norm of the second fundamental form and the mean curvature. We establish such a bound via the maximum principle for a triple‐approximation scheme, which combines ideas from Edelen [9], Haslhofer‐Hershkovits [16], and Volkmann [43]. Other important new ingredients are a Bernstein‐type theorem and a sheeting theorem for low‐entropy free boundary flows in a half‐slab, which allow us to rule out multiplicity 2 (half‐)planes as possible tangent flows and, for mean‐convex domains, as possible limit flows. © 2021 Wiley Periodicals LLC.
Enantioselective Organocatalytic Syntheses and Ring‐Expansions of Cyclobutane Derivatives
Authors: Barday Manuel , Bouillac Pierre , Coquerel Yoann , Amatore Muriel , Constantieux Thierry , Rodriguez Jean 
Published: June 2021

AbstractThe progress in enantioselective organocatalysis have enabled efficient and highly stereoselective syntheses of cyclobutane derivatives, through (2+2) annulation reactions, overcoming the geometrical constraints inherent to these small cyclic molecules. More importantly, and taking advantage of their strain‐releasing fragmentation, some cyclobutane derivatives, especially cyclobutanones and cyclobutenones, can now be regarded as versatile four‐carbon atoms units amenable to the enantioselective construction of larger rings by (4+n) annulation reactions to produce, five‐, six‐, seven‐ and eight‐membered cyclic products. These recent developments concerning the enantioselective synthetic chemistry of cyclobutane derivatives under organocatalytic conditions are reviewed herein.
The dynamics of commodity return comovements
Authors: Prokopczuk Marcel , Wese Simen Chardin , Wichmann Robert 
Published: June 2021

AbstractWe compare factor models with respect to their ability to explain commodity futures return comovements. A simple one‐factor model based on the first principal component extracted from a panel of commodity returns outperforms a macroeconomic model, and explains most of the realized comovements. We find that intersectoral correlations display more time variations than intrasectoral correlations. Dissecting the evidence further, we find that comovements are driven by the variation of the factor as opposed to exposure to it. Our results cast doubt on the persistence of the effects of financialization and emphasize the importance of the dynamics of the factor variance.
The balance between Bayesian inference and default mode determines the generation of tinnitus from decreased auditory input: A volume entropy‐based study
Authors: Song Jae‐Jin , Park Jaemin , Koo Ja‐Won , Lee Sang‐Yeon , Vanneste Sven , De Ridder Dirk , Hong Soonki , Lim Seonhee 
Published: June 2021

AbstractAlong with phantom pain, tinnitus, a phantom auditory perception occurring in the absence of an external acoustic stimulus, is one of the most representative phantom perceptions that develops in subjects with decreased peripheral sensory input. Although tinnitus is closely associated with peripheral hearing loss (HL), it remains unclear why only some individuals with HL develop tinnitus. In this study, we investigated the differences between 65 HL with tinnitus (HL‐T) and 104 HL with no tinnitus (HL‐NT) using a resting‐state electroencephalography data‐based volume entropy model of the brain network, by comparing the afferent node capacities, that quantify the contribution of each node to the spread of information, of all Brodmann areas. While the HL‐T group showed increased information flow in areas involved in Bayesian inference (the left orbitofrontal cortex, the left subgenual anterior cingulate cortex, and the left ventrolateral prefrontal cortex) and auditory memory storage (the right hippocampus/parahippocampus), the HL‐NT group showed increased afferent node capacity in hub areas of the default mode network (DMN; the right posterior cingulate cortex and the right medial temporal gyrus). These results suggest that the balance of activity between the Bayesian inferential network (updating missing auditory information by retrieving auditory memories from the hippocampus/parahippocampus) and DMN (maintaining the “silent status quo”) determines whether phantom auditory perception occurs in a brain with decreased peripheral auditory input.
CCL17‐CCR4 axis contributes to the onset of vitiligo in mice
Authors: Li He , Wang Congpin , Li Xiaoqing , Kong Yinghui , Sun Weiguo 
Published: June 2021

AbstractBackgroundDestruction of melanocytes mediated by autoimmunity is currently believed as the main cause of vitiligo. This article aims to identify the role of CC chemokine ligand 17 (CCL17)–CC chemokine receptor 4 (CCR4) axis in vitiligo and provide new possibilities for the clinical treatment of vitiligo.MethodsA total of 30 patients with vitiligo from Affiliated Huaian No. 1 People's Hospital of Nanjing Medical University were recruited based on the inclusion and exclusion criteria. Trephine was used to obtain skin samples from the lesion area and its surrounding normal areas, and the expression levels of CCL17, CCR4, Tbx21, Eomes, and Blimp1 were determined by quantitative reverse transcription polymerase chain reaction. Vitiligo mouse model was established by adoptively transferring CFP‐PMEL CD8+ T cells into sublethally irradiated Krt14‐Kitl* mice. Recipient mice received intraperitoneal injection of 1 × 106 plaque‐forming units of rVV‐hPMEL on the same day of transfer. The degree of depigmentation was scored blindly by one observer 5 weeks after vitiligo induction. CFP‐PMEL CD8+ T cells migration to skin, draining lymph nodes, spleen, and blood were detected by flow cytometry. CCR4 blockade was performed by intraperitoneal injection of neutralizing antibody.ResultsThe expression levels of CCL17, CCR4, Tbx21, Eomes, and Blimp1 in skin lesions were significantly increased compared with that in surrounding normal areas. CCL17−/− and CCR4−/− mice exhibited significantly lower disease scores than WT mice. The CFP‐PMEL CD8+ T cells accumulation was significantly decreased in the skin of CCL17−/− and CCR4−/− mice, but was not changed in draining lymph nodes, spleen, and blood. Administration of CCR4 neutralizing antibody decreased the degree of depigmentation and the recruitment of CFP‐PMEL CD8+ T cells to the skin, while keeping the number of T cells in draining lymph nodes unchanged.ConclusionTargeting CCL17‐CCR4 axis might inhibit T cell migrating to skin and alleviate vitiligo progression.
Inhibiting the JNK/ERK signaling pathway with geraniol for attenuating the proliferation of human gastric adenocarcinoma AGS cells
Authors: Yang Hongwei , Liu Guanghui , Zhao Hongchao , Dong Xinhua , Yang Zhen 
Published: June 2021

AbstractGeraniol, a natural compound found in the essential oils of various aromatic plants, has attracted attention for its probable anticancer effects. The molecular mechanisms of the cell proliferation suppression and apoptosis induction via geraniol in gastric cancer cells (AGS), however, remain unclear. Gastric cancer cells were treated with geraniol, and it was found that the IC50 values were 25 μM/ml, as determined by the 3‐(4,5‐dimethylthiazol‐2‐yl)−2,5‐diphenyltetrazolium bromide assay. Results showed that 20 and 25 μM geraniol‐induced reactive oxygen species (ROS) production (2ʹ‐7ʹdichlorofluorescin diacetate staining) and decreased mitochondrial membrane potential (rhodamine 123 staining) in AGS cells. Then, it effectively inhibited cell growth and induced apoptosis, confirmed through acridine orange/ethidium bromide, 4′,6‐diamidino‐2‐phenylindole, and propidium iodide staining and molecular marker analysis in AGS cells. Also, geraniol potently diminished caspase‐9, Bax, Bcl‐2, and caspase‐3 expression in AGS cells. We also evaluated the essential mechanism of the cytotoxic effect of geraniol. Moreover, the present study depicted that geraniol‐induced cell death through mitochondrial ROS production and inhibited the phosphorylation form of mitogen‐activated protein kinase (p38, MAPK, JNK, and ERK1/2) signaling pathway. Taken together, these results concluded that geraniol has a novel therapeutic property against human stomach cancer.
The hepatoprotective potential of resveratrol in an experimental model of ruptured abdominal aortic aneurysm via oxidative stress and apoptosis
Authors: Bilen Arzu , Mercantepe Filiz , Tümkaya Levent , Yilmaz Adnan , Batcik Şule 
Published: June 2021

AbstractThe mortality rate in ruptured abdominal aortic aneurysms can today be reduced through cardiovascular surgery. However, ischemia and reperfusion‐induced tissue damage develop due to aortic cross‐clamping applied during surgery. The present study aimed to reduce oxidative stress‐induced hepatic damage resulting from ischemia and reperfusion due to aortic cross‐clamping during surgery by means of resveratrol administration. Forty male Sprague–Dawley rats were randomly assigned into four groups: control (healthy), glycerol+ischemia/reperfusion (I/R) (sham), I/R, and I/R + Resveratrol. In all groups scheduled for I/R, 60 min of shock was followed by 60 min of ischemia. In the I/R + Resveratrol group, 10 mg/kg of resveratrol was administered 15 min before ischemia and immediately before reperfusion via the intraperitoneal route. In addition, 120 min of reperfusion was applied under anesthesia after ischemia in all groups. Intralobar and interlobar necrosis, vascular congestion, and edematous fields resulting from aortic occlusion were present. Liver tissue malondialdehyde (MDA) levels and cleaved caspase‐3 positivity increased, while glutathione (GSH) levels decreased. However, resveratrol administration reduced intralobular and interlobar necrosis, vascular congestion and edematous fields, cleaved caspase‐3 positivity, and MDA levels, and increased GSH levels. Our findings suggest that resveratrol is effective against aortic occlusion‐induced liver injury by reducing oxidative stress and apoptosis.
Resident and house manager perceptions of social environments in sober living houses: Associations with length of stay
Authors: Mahoney Elizabeth , Witbrodt Jane , Mericle Amy A. , Polcin Douglas L. 
Published: June 2021

AbstractAimsStudies have shown persons living in recovery homes for drug and alcohol problems make significant, sustained improvements. However, there is limited information about factors associated with outcomes. This study examined how perceptions of social environment of one type of recovery home, sober living houses (SLHs), were associated with length of stay (LOS).MethodsSLH residents and their house managers (N = 416) completed the recovery home environment scale (RHES) that assessed social model recovery characteristics and the community‐oriented program evaluation scale (CPES) that evaluated perceptions of the program environment.ResultsScales completed by residents predicted LOS, but those completed by house managers did not. Larger discrepancies between the two groups were associated with shorter LOS. The RHES was shown to be a stronger predictor of LOS than the CPES.ConclusionResults highlight the importance of the social environment in SLHs, particularly those most closely aligned with social model recovery principles.
Foreign adolescents living in Portugal: Quality of life and school experiences
Authors: Botelho Guedes Fábio , Cerqueira Ana , Gaspar Susana , Gaspar Tania , Calado Pedro , Gaspar de Matos Margarida 
Published: June 2021

AbstractThe present study intends to (1) analyze the differences regarding the quality of life between young foreigners and young Portuguese adolescents; (2) understand the relationship between variables related to the school context and the quality of life of foreign adolescents living in Portugal. In all, 8215 adolescents participated in this study, and only the sub‐sample of 578 foreigners was considered. 50.3% are boys, aged between 10 and 22 years old. Foreign students in Portugal have a lower well‐being index than Portuguese students and a worse relationship with peers and teachers. Foreign girls like school more than boys, have less difficulties in school and have a higher perception of security at this context. On the other hand, they have a lower perceived academic competence and a worse relationship with peers. The importance of developing programs to promote socioemotional skills, empowering teachers and educators, and promoting the adoption of an inclusive model in schools is highlighted.
DL‐3‐n‐butylphthalide‐induced neuroprotection in rat models of asphyxia‐induced cardiac arrest followed by cardiopulmonary resuscitation
Authors: Yang Song , Yu Changxiao , Yang Zhengfei , Cui Hao , Wu Yang , Liang Zhen , Liu Ying , Shi Xian , Shao Fei , Zhao Shen , Tang Ziren 
Published: June 2021

AbstractMost patients that resuscitate successfully from cardiac arrest (CA) suffer from poor neurological prognosis. DL‐3‐n‐butylphthalide (NBP) is known to have neuroprotective effects via multiple mechanisms. This study aimed to investigate whether NBP can decrease neurological impairment after CA. We studied the protective role of NBP in the hippocampus of a rat model of cardiac arrest induced by asphyxia. Thirty‐nine rats were divided randomly into sham, control, and NBP groups. Rats in control and NBP groups underwent cardiopulmonary resuscitation (CPR) 6 min after asphyxia. NBP or vehicle (saline) was administered intravenously 10 min after the return of spontaneous circulation (ROSC). Ultrastructure of hippocampal neurons was observed under transmission electron microscope. NBP treatment improved neurological function up to 72 h after CA. The ultrastructural lesion in mitochondria recovered in the NBP‐treated CA model. In conclusion, our study demonstrated multiple therapeutic benefits of NBP after CA.
Cerebellar spongiform degeneration is accompanied by metabolic, cellular, and motor disruption in male rats with portacaval anastomosis
Authors: López‐Cervantes Mayra , Quintanar‐Stephano Andrés , Alcauter‐Solórzano Sarael , Hernández‐Pando Rogelio , Aguilar‐Roblero Raúl , Gasca‐Martínez Deisy , Ortíz Juan J. , Vázquez‐Martínez Olivia , Ximénez‐Camilli Cecilia , Díaz‐Muñoz Mauricio 
Published: June 2021

AbstractThe episodes of cerebral dysfunction, known as encephalopathy, are usually coincident with liver failure. The primary metabolic marker of liver diseases is the increase in blood ammonium, which promotes neuronal damage. In the present project, we used an experimental model of hepatic encephalopathy in male rats by portacaval anastomosis (PCA) surgery. Sham rats had a false operation. After 13 weeks of surgery, the most distinctive finding was vacuolar/spongiform neurodegeneration exclusively in the molecular layer of the cerebellum. This cerebellar damage was further characterized by metabolic, histopathological, and behavioral approaches. The results were as follows: (a) Cellular alterations, namely loss of Purkinje cells, morphological changes, such as swelling of astrocytes and Bergmann glia, and activation of microglia; (b) Cytotoxic edema, shown by an increase in aquaporin‐4 and N‐acetylaspartate and a reduction in taurine and choline‐derivate osmolytes; (c) Metabolic adjustments, noted by the elevation of circulating ammonium, enhanced presence of glutamine synthetase, and increase in glutamine and creatine/phosphocreatine; (d) Inflammasome activation, detected by the elevation of the marker NLRP3 and microglial activation; (e) Locomotor deficits in PCA rats as assessed by the Rotarod and open field tests. These results lead us to suggest that metabolic disturbances associated with PCA can generate the cerebellar damage that is similar to morphophysiological modifications observed in amyloidogenic disorders. In conclusion, we have characterized a distinctive cerebellar multi‐disruption accompanied by high levels of ammonium and associated with spongiform neurodegeneration in a model of hepatic hypofunctioning.