bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Modeling of the Surface‐Guided Self‐Assembly of Functional Molecules
Authors: Nieckarz Damian , Szabelski Paweł 
Published: January 2020

AbstractDirecting the self‐assembly of organic building blocks with 2D templates has been a promising method to create molecular superstructures having unique physicochemical properties. In this work the on‐surface self‐assembly of simple ditopic functional molecules confined inside periodic nanotemplates was modeled by means of the lattice Monte Carlo simulation method. Two types of confinement, that is honeycomb porous networks and parallel grooves of controlled diameter and width were used in the calculations. Additionally, the effect of (pro)chirality of the adsorbing molecules on the outcome of the templated self‐assembly was examined. To that end, enantiopure and racemic assemblies were studied and the resulting structures were identified and classified. The obtained findings demonstrated that suitable tuning of the structural parameters of the templates enables directing the self‐assembly towards linear and cyclic aggregates with controlled size. Moreover, chiral resolution of the molecular conformers using honeycomb networks with adjusted pore size was found possible. Our theoretical predictions can be helpful in designing structured surfaces to direct self‐assembly and polymerization of organic functional building blocks.
Aza‐ortho‐Quinone Methide and Its Conjugated Acid: Reactivity, Stability and Acidity
Authors: Wu Tun‐Hui , Su Zih‐Syuan , Sung Robert , Sung Kuangsen 
Published: January 2020

AbstractAza‐o‐quinone methides and their conjugated acids are reactive drug metabolites that might react with nucleophilic sites of DNAs and proteins to cause cancer or immune responses, and their reactivity with water is the key information to judge if these metabolites are harmful in living systems. For the first time, aza‐o‐quinone methide (1) and its conjugated acid (2) are observed by laser flash photolysis, and their reactivity, stability and acidity in water are determined.
Oxidative Methane Conversion to Ethane on Highly Oxidized Pd/CeO2 Catalysts Below 400 °C
Authors: Kwon Gihun , Shin Dongjae , Jeong Hojin , Sahoo Suman Kalyan , Lee Jaeha , Kim Gunjoo , Choi Juhyuk , Kim Do Heui , Han Jeong Woo , Lee Hyunjoo 
Published: January 2020

AbstractMethane upgrading into more valuable chemicals has received much attention. Herein, we report oxidative methane conversion to ethane using gaseous O2 at low temperatures (<400 °C) and atmospheric pressure in a continuous reactor. A highly oxidized Pd deposited on ceria could produce ethane with a productivity as high as 0.84 mmol gcat−1 h−1. The Pd−O−Pd sites, not Pd−O−Ce, were the active sites for the selective ethane production at low temperatures. Density functional theory calculations confirmed that the Pd−O−Pd site is energetically more advantageous for C−C coupling, whereas Pd−O−Ce promotes CH4 dehydrogenation. The ceria helped Pd maintain a highly oxidic state despite reductive CH4 flow. This work can provide new insight for methane upgrading into C2 species.
Continuous‐Flow Amide and Ester Reductions Using Neat Borane Dimethylsulfide Complex
Authors: Ötvös Sándor B. , Kappe C. Oliver 
Published: January 2020

AbstractReductions of amides and esters are of critical importance in synthetic chemistry, and there are numerous protocols for executing these transformations employing traditional batch conditions. Notably, strategies based on flow chemistry, especially for amide reductions, are much less explored. Herein, a simple process was developed in which neat borane dimethylsulfide complex (BH3⋅DMS) was used to reduce various esters and amides under continuous‐flow conditions. Taking advantage of the solvent‐free nature of the commercially available borane reagent, high substrate concentrations were realized, allowing outstanding productivity and a significant reduction in E‐factors. In addition, with carefully optimized short residence times, the corresponding alcohols and amines were obtained in high selectivity and high yields. The synthetic utility of the inexpensive and easily implemented flow protocol was further corroborated by multigram‐scale syntheses of pharmaceutically relevant products. Owing to its beneficial features, including low solvent and reducing agent consumption, high selectivity, simplicity, and inherent scalability, the present process demonstrates fewer environmental concerns than most typical batch reductions using metal hydrides as reducing agents.
Considering context in the developmental psychobiology of self‐regulation
Authors: Davis Elizabeth L. , Brooker Rebecca J. , Kahle Sarah 
Published: January 2020

AbstractThe developmental psychobiology of self‐regulation in childhood has received increasing attention in recent years. As a next step in advancing research and theorizing about the processes by which early biological correlates of self‐regulation are forged, a more nuanced consideration of the contexts in which these phenomena are embedded is needed. This review synthesizes insights from distinct but complementary approaches to studying the developmental psychobiology of early self‐regulation, focusing on the idea of context at different time scales. Three types of context that differ in temporal resolution are considered: (a) The temporally immediate contexts occurring within a structured challenge, including the baseline‐to‐task context of reactive psychobiology, the within‐task context of dynamic change, and the post‐task context of recovery from challenge. (b) The temporally moderate contexts of task type, including variants like the specific emotion that is under study and whether the task involves (or allows for) self‐regulatory behaviors. (c) The temporally chronic contexts of important social relationships within which children are embedded and developing. Future research efforts that incorporate a more nuanced appreciation for the temporal resolution of contexts in developmental psychobiology will allow for novel tests and refinement of theories of self‐regulation, as well as other domains of child development.
Butterfly phenology in Mediterranean mountains using space‐for‐time substitution
Authors: Zografou Konstantina , Grill Andrea , Wilson Robert J. , Halley John M. , Adamidis George C. , Kati Vassiliki 
Published: January 2020

AbstractInferring species' responses to climate change in the absence of long‐term time series data is a challenge, but can be achieved by substituting space for time. For example, thermal elevational gradients represent suitable proxies to study phenological responses to warming. We used butterfly data from two Mediterranean mountain areas to test whether mean dates of appearance of communities and individual species show a delay with increasing altitude, and an accompanying shortening in the duration of flight periods. We found a 14‐day delay in the mean date of appearance per kilometer increase in altitude for butterfly communities overall, and an average 23‐day shift for 26 selected species, alongside average summer temperature lapse rates of 3°C per km. At higher elevations, there was a shortening of the flight period for the community of 3 days/km, with an 8.8‐day average decline per km for individual species. Rates of phenological delay differed significantly between the two mountain ranges, although this did not seem to result from the respective temperature lapse rates. These results suggest that climate warming could lead to advanced and lengthened flight periods for Mediterranean mountain butterfly communities. However, although multivoltine species showed the expected response of delayed and shortened flight periods at higher elevations, univoltine species showed more pronounced delays in terms of species appearance. Hence, while projections of overall community responses to climate change may benefit from space‐for‐time substitutions, understanding species‐specific responses to local features of habitat and climate may be needed to accurately predict the effects of climate change on phenology.
Aerial spraying of bacterial insecticides to control spruce budworm defoliation leads to reduced carbon losses
Authors: Liu Zelin , Peng Changhui , De Grandpré Louis , Candau Jean‐Noël , Work Timothy , Zhou Xiaolu , Kneeshaw Daniel 
Published: January 2020

AbstractSpruce budworm (SBW) outbreaks are a major natural disturbance in boreal forests of eastern North America. During large‐scale infestations, aerial spraying of bacterial insecticides is used to suppress local high‐density SBW populations. While the primary goal of spraying is the protection of wood volume for later harvest, it should also maintain carbon stored in trees. This study provides the first quantitative analysis of the efficacy of aerial spraying against SBW on carbon dynamics in balsam fir, spruce, and mixed fir–spruce forests. In this study, we used the TRIPLEX‐Insect model to simulate carbon dynamics with and without spray applications in 14 sites of the boreal forest located in various regions of Québec. We found that the efficacy of aerial spraying on reducing annual defoliation was greater in the early stage (<5 yr since the outbreak began) of the outbreak than in later (5–10 yr since the outbreak began) stage. Our results showed that more net ecosystem productivity is maintained in balsam fir (the most vulnerable species) than in either spruce or mixed fir–spruce forests following spraying. Also, average losses in aboveground biomass due to the SBW following spraying occurred more slowly than without spraying in balsam fir forests. Our findings suggest that aerial spraying could be used to maintain carbon in conifer forests during SBW disturbances, but that the efficacy of spray programs is affected by host species and stage of the SBW outbreak.
Personality of late‐ and early‐onset elderly suicide attempters
Authors: Szücs Anna , Szanto Katalin , Wright Aidan G. C. , Dombrovski Alexandre Y. 
Published: January 2020

ObjectivesWhile suicidal behavior often manifests in adolescence and early adulthood, some people first attempt suicide in late life, often with remarkable lethal intent and determination. Given these individuals' more adaptive functioning earlier in life, they may possess traits that hinder adjustment to aging, such as high conscientiousness, rather than impulsive‐aggressive traits associated with suicidal behavior in younger adults.MethodsA cross‐sectional case‐control study was conducted in older adults aged ≥50 (mean: 65), divided into early‐ and late‐onset attempters (age at first attempt ≤ or >50, mean: 31 vs 61), suicide ideators as well as non‐suicidal depressed and healthy controls. Personality was assessed in terms of the five‐factor model (FFM, n = 200) and five DSM personality disorders analyzed on the trait level as continuous scores (PDs, n = 160). Given our starting hypothesis about late‐onset attempters, the FFM dimension conscientiousness was further tested on the subcomponent level.ResultsAll clinical groups displayed more maladaptive profiles than healthy subjects. Compared to depressed controls, higher neuroticism, and borderline traits characterized both suicide ideators and early‐onset attempters, while only early‐onset attempters further displayed lower extraversion and higher antisocial traits. Late‐onset attempters were similar to depressed controls on most measures, but scored higher than them on orderliness, a conscientiousness subcomponent.ConclusionsWhile neuroticism, introversion, and cluster B traits are prominent in early‐onset suicidal behavior, late‐onset cases generally lack these features. In contrast, higher levels of orderliness in late‐onset suicidal behavior are compatible with the age‐selective maladjustment hypothesis.Key points

Personality of elderly attempters differed between those with early‐ and late‐onset first attempts.
Early‐onset attempters possessed personality traits generally found in younger suicidal populations (high neuroticism, low extraversion, antisocial, and borderline PD traits), supporting that constitutional suicide risk factors persist into late life in some individuals.
Late‐onset suicide attempters had higher levels of orderliness than non‐suicidal depressed participants, suggesting that this generally adaptive trait may facilitate suicidal behavior in a subset of depressed elderly.
Prevalence of dementia in people with intellectual disabilities: Cross‐sectional study
Authors: Takenoshita Shintaro , Terada Seishi , Kuwano Ryozo , Inoue Tomokazu , Cyoju Atsushi , Suemitsu Shigeru , Yamada Norihito 
Published: January 2020

BackgroundThere are only a few studies of the prevalence of dementia in people with intellectual disability (ID) without Down syndrome (DS), and there is a large difference in the prevalences between reported studies. Moreover, the prevalence of mild cognitive impairment (MCI) in ID has not been reported. We aimed to evaluate the prevalence of dementia in adults of all ages and the prevalence of MCI in people with ID. Furthermore, we tried to clarify the differences depending on the various diagnostic criteria.MethodsThe survey included 493 adults with ID at 28 facilities in Japan. The caregivers answered a questionnaire, and physicians directly examined the participants who were suspected of cognitive decline. Dementia and MCI were diagnosed according to ICD‐10, DC‐LD, and DSM‐5 criteria.ResultsThe prevalence of dementia was 0.8% for the 45 to 54 years old group, 3.5% for the 55 to 64 years old group, and 13.9% for the 65 to 74 years old group in people with ID without DS. The prevalence of MCI was 3.1% for patients 45 to 54, 3.5% for patients 55 to 64, and 2.8% for patients 65 to 74 with ID without DS. DSM‐5 was the most inclusive in diagnosing dementia and MCI in people with ID.ConclusionsPeople with ID without DS may develop dementia and MCI at an earlier age and higher rate than the general population. Among the diagnostic criteria, DSM‐5 was the most useful for diagnosing their cognitive impairment.
Neuroticism predicts fear of falling after hip fracture
Authors: Bower Emily S. , Wetherell Julie L. , Petkus Andrew J. , Lenze Eric J. 
Published: January 2020

ObjectivesFear of falling (FoF) is common and associated with poorer functional outcomes after hip fracture. We sought to differentiate patterns of FoF at 4 and 12 weeks after surgical repair for hip fracture and examine predictors of FoF.Methods/designSecondary analysis of existing data from a 52‐week prospective study examining recovery after hip fracture. Participants (N = 263) were aged 60 and older with recent hip fracture recruited from eight hospitals. FoF was measured 4 and 12 weeks postfracture with the Short Falls Efficacy Scale‐International. Latent class mixed models were constructed to identify distinct patterns of FoF from 4 to 12 weeks postfracture and predictors of FoF. Predictors examined included age, gender, neuroticism, depression, negative affect, perceived social support, medical comorbidity, functional ability, cognition, and pain.ResultsThree latent classes of FoF were identified: a group with minimal FoF at weeks 4 and 12 (72%), a group with high FoF that decreased (17%), and a group with high FoF that increased from week 4 to 12 (11%). In a multivariate model, higher neuroticism was associated with greater risk for high FoF (increasing or decreasing), whereas higher premorbid medical comorbidity was associated with increasing FoF, poorer premorbid functional ability was associated with decreasing FoF, and social support was not significantly associated.ConclusionsOlder adults with higher neuroticism are more likely to have FoF in the first 12 weeks after a hip fracture. Screening for neuroticism in health care settings might identify individuals who would benefit from interventions to improve outcomes during recovery.
Protective effect of hypoglycemic granule against diabetes‐induced liver injury by alleviating glycolipid metabolic disorder and oxidative stress
Authors: Yang Xiaosong , Zhang Pengjie , Zhang Feixue , Ke Zhiqiang , Chen Qingjie , Liu Chao 
Published: January 2020

AbstractThe current study was designed to explore the therapeutic effect and mechanism of different extraction, which came from hypoglycemic granule on diabetes‐induced liver injury. The ethanol fraction (HGEF) and aqueous fraction (HGAF) from hypoglycemic granule were prepared and administered p.o. to diabetic mice for 17 weeks after 6 weeks of constructing the model. Hematoxylin‐eosin (HE) staining and periodic acid‐Schiff (PAS) staining were individually applied to observe the morphological change and glycogen deposition. In addition, Oil Red O staining was adopted in lipid droplets detection. Western blot analysis was performed to evaluate the protein expression. The commercial biochemical kits were used to determine the fasting blood glucose value, enzyme activity, and some biochemical indicators. HGEF not only significantly decreased the levels of blood glucose, the content of triglycerides, total cholesterol, low‐density lipoprotein, and lipid droplet accumulation, but also remarkably enhanced the high‐density lipoprotein, glycogen synthesis, and further improved the hepatic function in diabetic mice. Moreover, HGEF increased the superoxide dismutase (SOD) activity and inhibited the malondialdehyde production, so did HGAF. HGAF performed potential to modulate lipid metabolism via decreasing TG and LDL levels. Further, the protein expressions of SOD, nuclear factor erythroid 2‐related factor 2 (Nrf2), and forkhead box O3 (Foxo3a) were increased by HGEF, whereas the receptor‐interacting serine‐threonine kinase 3 (RIP3), calcium/calmodulin‐dependent protein kinase II (CaMKII), and cytochrome c (Cyt c) expressions were inhibited. Our present results suggest that HGEF has superiority in ameliorating oxidative stress via modulating hepatic glycolipid metabolism homeostasis in low‐dose streptozotocin‐induced liver tissue of diabetic mice.
Use of Museum Specimens to Refine Historical Pronghorn Subspecies Boundaries
Authors: Hahn Erin E. , Klimova Anastasia , MUNGUÍA‐VEGA ADRIÁN , Clark Kevin B. , Culver Melanie 
Published: January 2020

ABSTRACTEndangered Sonoran (Antilocapra americana sonoriensis) and Peninsular (A. a. peninsularis) pronghorn persist largely because of captive breeding and reintroduction efforts. Recovery team managers want to re‐establish pronghorn in their native range, but there is currently uncertainty regarding the subspecies status of extinct pronghorn populations that historically inhabited southern California, USA, and northern Baja California, Mexico. To address this uncertainty, we genotyped museum specimens and conducted phylogenetic and population genetic analyses of historical data in the context of 3 contemporary pronghorn populations. The historical northern Baja California pronghorn share the most ancestry with contemporary Peninsular pronghorn, whereas pronghorn in southern California share more ancestry with contemporary American (A. a. americana) pronghorn. For reintroductions into northern Baja California, the Peninsular subspecies is more appropriate based on museum genetic data. For reintroductions into Southern California, ecological and genetic factors are both important, as the subspecies most genetically related to historical populations (American) may not be well‐adapted to the hot, low‐elevation deserts of the reintroduction area. © 2019 The Wildlife Society.
miR‐335 modulates Numb alternative splicing via targeting RBM10 in endometrial cancer
Authors: Dou Xiao‐Qing , Chen Xiu‐Juan , Zhou Qun , Wen Ming‐Xiao , Zhang Shu‐Zhen , Zhang Shi‐Qian 
Published: January 2020

AbstractNumb is a conserved protein plays important roles in the development of cancer. Two Numb isoforms have been found produced by alternative splicing and play contrast roles in regulating cellular functions. It is reported that the expression of Numb long isoform (Numb‐L) was increased in various kinds of cancers, but in endometrial cancer, the condition is still unknown. The level of two Numb transcripts and protein isoforms were detected by semiquantitative polymerase chain reaction and immunoblotting in 47 paired endometrial tumor and adjacent non‐tumor control tissues. The level of three alternative splicing related proteins: RBM5, RBM6, and RBM10 was determined by immunoblotting. MiRNAs targeting RBM10 were predicted by bioinformatics tools and their interaction with RBM10 was confirmed by luciferase assay and immunoblotting. The function of miR‐335 in endometrial cancer was examined in xenograft mouse model. Numb‐L level was increased in tumors and negatively correlated with RBM10 protein level. RBM10 mRNA level was not significantly altered in endometrial tumors suggesting its expression may regulated by post transcriptional regulators such as miRNAs. We identified miR‐133a, miR‐133b, and miR‐335 directly target RBM10, but only miR‐335 level increased in tumors and negatively correlated with RBM10 protein level. miR‐335 overexpression promoted tumor growth by downregulating RBM10 and upregulating Numb‐L level in xenograft mouse model. miR‐335 overexpression promoted Numb‐L expression via targeting RBM10 in endometrial cancer, which may provide new biomarkers for EC diagnosis.
Apoptosis signaling molecules as treatment targets in head and neck squamous cell carcinoma
Authors: Ow Thomas J. , Thomas Carlos , Fulcher Cory D. , Chen Jianhong , López Andrea , Reyna Denis E. , Prystowsky Michael B. , Smith Richard V. , Schiff Bradley A. , Rosenblatt Gregory , Belbin Thomas J. , Harris Thomas M. , Childs Geoffrey C. , Kawachi Nicole , Schlecht Nicolas F. , Gavathiotis Evripidis 
Published: January 2020

ObjectivesTo evaluate BCL‐2 family signaling molecules in head and neck squamous cell carcinoma (HNSCC) and examine the ability of therapeutic agents with variable mechanisms of action to induce apoptosis in HNSCC cells.Methodsmessenger ribonculeic acid (mRNA) expression of BAK, BAX, B‐cell lymphoma (Bcl‐2), BCL2 Like 1 (BCL2L1), and MCL1 were measured in The Cancer Genome Atlas (TCGA) head and neck cancer dataset, as well as in a dataset from a cohort at Montefiore Medical Center (MMC). Protein expression was similarly evaluated in a panel of HNSCC cell lines (HN30, HN31, HN5, MDA686LN, UMSCC47). Cell viability and Annexin V assays were used to assess the efficacy and apoptotic potential of a variety of agents (ABT‐263 [navitoclax], A‐1210477, and bortezomib.ResultsExpression of BAK, BAX, BCL2L1, and MCL1 were each significantly higher than expression of BCL2 in the TCGA and MMC datasets. Protein expression demonstrated the same pattern of expression when examined in HNSCC cell lines. Treatment with combined ABT‐263 (navitoclax)/A‐1210477 or with bortezomib demonstrated apoptosis responses that approached or exceeded treatment with staurospaurine control.ConclusionHNSCC cells rely on inhibition of apoptosis via BCL‐xL and MCL‐1 overexpression, and induction of apoptosis remains a potential therapeutic option as long as strategies overcome redundant anti‐apoptotic signals.Level of EvidenceNA Laryngoscope, 130:2643–2649, 2020
Challenges to the Stability of Active Layer Materials in Organic Solar Cells
Authors: Wang Kun , Li Yaowen , Li Yongfang 
Published: January 2020

AbstractIn the past 20 years, organic solar cells (OSCs) have made great progress in pursuing high power‐conversion efficiencies, reaching the application threshold. Instead, device stability is becoming particularly important toward commercialization. There are many factors influencing the stability of OSCs, such as light, heat, humidity, oxygen, as well as device structure. Active layer materials, as the most critical functional layer in the devices, are greatly affected by these factors in terms of both efficiency and stability. Herein, it is desirable and urgent to summarize methods for obtaining active layer materials with long‐term stability, mainly focusing on the chemical structure and blending morphology. Meanwhile, the corresponding degraded mechanism of OSCs is concluded and analyzed. In this outlook, challenges for developing high‐performance and stable OSCs are discussed.