bluuebunny/crossref_metadata_2025_split huggingface dataset:
Aggregation‐induced emission luminogens for organic light‐emitting diodes with a single‐component emitting layer
Authors: Hwang Jinhyo , Nagaraju Peethani , Cho Min Ju , Choi Dong Hoon 
Published: April 2022

AbstractOrganic light‐emitting diodes (OLEDs) have garnered increasing attention as a promising candidate for application in next‐generation displays and solid‐state lighting devices. The doping technique commonly used to fabricate light‐emitting layers (EMLs) of OLEDs disperses the emitting material in a host matrix to mitigate aggregation‐induced quenching (ACQ). Alternatively, owing to their high efficiency and ease of manufacture, nondoped OLEDs have been developed as a substitute for doped OLEDs. When fabricating nondoped OLEDs, it is essential to suppress the ACQ effect in the EML and efficiently utilize the generated excitons for radiative decay. Since the discovery of aggregation‐induced emission (AIE) by Tang et al., significant work has been done to improve the stability and efficiency of nondoped OLEDs based on fluorescent AIE luminogens (AIEgens). Fluorescent AIEgens, synthesized using various molecular frameworks, such as silole, tetra/triphenylethylene, tetraphenylpyrazine, and tetraphenylbenzene, exhibit high photoluminescence quantum yields in the solid state. Therefore, many studies have reported that fluorescent AIEgen‐based OLEDs have excellent external quantum efficiency and exhibit emission at various wavelengths, including deep‐blue/blue/green emission. With the development of fluorescent AIEgens, delayed fluorescent AIEgens with efficient triplet utilization through reverse intersystem crossing and AIE properties have been adopted as ideal emitters and used in nondoped OLEDs. This review systematically discusses and summarizes recent reports on the development of AIEgens for nondoped OLEDs by grouping them into fluorescent and delayed fluorescent AIEgens. The purpose of this review is to provide deep insights into the design of novel AIEgens for high‐performance nondoped OLEDs.
Factors linked to participant attrition in a longitudinal occupational health surveillance program
Authors: Hubbell Zachariah , Howard Sara , Golden Ashley , Stange Bill , Cragle Donna , Dally Miranda , McInerney John , Newman Lee S. 
Published: April 2022

AbstractBackgroundFor occupational medical screening programs focused on long‐term health surveillance, participant attrition is a significant barrier to success. We investigate demographic, medical history, and clinical data from National Supplemental Screening Program (NSSP) examinees for association with likelihood of return for a second exam (rescreening).MethodsA total of 15,733 individuals completed at least one NSSP exam before December 31, 2016; of those, 4832 also completed a second exam on or before December 31, 2019. Stepwise logistic regression models were used to identify variables associated with whether a participant was rescreened in the NSSP.ResultsIndividuals were less likely to return for rescreening if they had a history of any cancer; cardiovascular problems; diabetes or kidney disease; or if they used insulin. Age at time of first exam and job site category significantly influenced likelihood of return. Workers categorized as “guests” were more likely to return. Participants were less likely to return if they had an abnormal urinalysis, abnormal pulmonary function, pneumoconiosis, aortic atherosclerosis, or hearing loss at their initial exam. Participants who received a chest X‐ray at their initial screening were more likely to return.ConclusionsThe presence of health problems is strongly linked to screening program attrition. Participants who are older at the time of their initial screening exam are less likely to return. The discovery of several strong demographic, medical, and job associations reveals the importance for medical screening programs to understand and address factors that influence participant retention and, consequently, the effectiveness of long‐term health surveillance activities.
Stereodefined Skipped Dienes through Iridium‐Catalyzed Formal Addition of Tertiary Allylic C−H Bonds to Alkynes
Authors: Wang Zi‐Xuan , Gao Peng‐Chao , Lin En‐Ze , Li Bi‐Jie 
Published: April 2022

AbstractPreparation of skipped dienes with a quaternary carbon center at the C‐3 position remains a synthetic challenge. We report here an iridium‐catalyzed formal addition of tertiary sp3 C−H bond to alkyne for the facile preparation of skipped dienes. The tertiary allylic C−H bond is cleaved regioselectively, at the site of which a new C−C bond is formed. Enantioselective construction of acyclic quaternary carbon stereocenters is also demonstrated.
Reticular Synthesis of Hydrogen‐Bonded Organic Frameworks and Their Derivatives via Mechanochemistry
Authors: Qin Wei‐Kang , Si Duan‐Hui , Yin Qi , Gao Xiang‐Yu , Huang Qian‐Qian , Feng Ya‐Nan , Xie Lei , Zhang Shuo , Huang Xin‐Song , Liu Tian‐Fu , Cao Rong 
Published: April 2022

AbstractRational synthesis of hydrogen‐bonded organic frameworks (HOFs) with predicted structure has been a long‐term challenge. Herein, by using the efficient, simple, low‐cost, and scalable mechanosynthesis, we demonstrate that reticular chemistry is applicable to HOF assemblies based on building blocks with different geometry, connectivity, and functionality. The obtained crystalline HOFs show uniform nano‐sized morphology, which is challenging or unachievable for conventional solution‐based methods. Furthermore, the one‐pot mechanosynthesis generated a series of Pd@HOF composites with noticeably different CO oxidation activities. In situ DRIFTS studies indicate that the most efficient composite, counterintuitively, shows the weakest CO affinity to Pd sites while the strongest CO affinity to HOF matrix, revealing the vital role of porous matrix to the catalytic performance. This work paves a new avenue for rational synthesis of HOF and HOF‐based composites for broad application potential.
Gas‐Phase Mechanism of O.−/Ni2+‐Mediated Methane Conversion to Formaldehyde
Authors: Li Ya‐Ke , Müller Fabian , Schöllkopf Wieland , Asmis Knut R. , Sauer Joachim 
Published: April 2022

AbstractThe gas‐phase reaction of NiAl2O4+ with CH4 is studied by mass spectrometry in combination with vibrational action spectroscopy and density functional theory (DFT). Two product ions, NiAl2O4H+ and NiAl2O3H2+, are identified in the mass spectra. The DFT calculations predict that the global minimum‐energy isomer of NiAl2O4+ contains Ni in the +II oxidation state and features a terminal Al−O.− oxygen radical site. They show that methane can react along two competing pathways leading to formation of either a methyl radical (CH3⋅) or formaldehyde (CH2O). Both reactions are initiated by hydrogen atom transfer from methane to the terminal O.− site, followed by either CH3⋅ loss or CH3⋅ migration to an O2− site next to the Ni2+ center. The CH3⋅ attaches as CH3+ to O2− and its unpaired electron is transferred to the Ni‐center reducing it to Ni+. The proposed mechanism is experimentally confirmed by vibrational spectroscopy of the reactant and two different product ions.
In‐Sequence High‐Specificity Dual‐Reporter Unlocking of Fluorescent Probe Enables the Precise Identification of Atherosclerotic Plaques
Authors: Ye Zhuo , Ji Moxuan , Wu Kefeng , Yang Jie , Liu An‐An , Sun Wei , Ding Dan , Liu Dingbin 
Published: April 2022

AbstractThe formation of atherosclerotic plaques is the root cause of various cardiovascular diseases (CVDs). Effective CVD interventions thus call for precise identification of the plaques to aid clinical assessment, diagnosis, and treatment of such diseases. In this study, we introduce a dual‐target sequentially activated fluorescence reporting system, termed in‐sequence high‐specificity dual‐reporter unlocking (iSHERLOCK), to precisely identify the atherosclerotic plaques in vivo and ex vivo. ISHERLOCK was achieved by creating a three‐in‐one fluorescent probe that permits highly specific and sensitive detection of lipid droplets and hypochlorous acid via “off‐on” and ratiometric readouts, respectively. Based on this format, the upregulated lipid accumulation and oxidative stress—the two hallmarks of atherosclerosis (AS)—were specifically measured in the atherosclerotic plaques, breaking through the barrier of precise tissue biopsy of AS and thus aiding effective CVD stewardship.
ESA's Cometary Mission Rosetta—Re‐Characterization of the COSAC Mass Spectrometry Results
Authors: Leseigneur Guillaume , Bredehöft Jan Hendrik , Gautier Thomas , Giri Chaitanya , Krüger Harald , MacDermott Alexandra J. , Meierhenrich Uwe J. , Caro Guillermo M. Muñoz , Raulin François , Steele Andrew , Steininger Harald , Szopa Cyril , Thiemann Wolfram , Ulamec Stephan , Goesmann Fred 
Published: April 2022

AbstractThe most pristine material of the Solar System is assumed to be preserved in comets in the form of dust and ice as refractory matter. ESA's mission Rosetta and its lander Philae had been developed to investigate the nucleus of comet 67P/Churyumov–Gerasimenko in situ. Twenty‐five minutes after the initial touchdown of Philae on the surface of comet 67P in November 2014, a mass spectrum was recorded by the time‐of‐flight mass spectrometer COSAC onboard Philae. The new characterization of this mass spectrum through non‐negative least squares fitting and Monte Carlo simulations reveals the chemical composition of comet 67P. A suite of 12 organic molecules, 9 of which also found in the original analysis of this data, exhibit high statistical probability to be present in the grains sampled from the cometary nucleus. These volatile molecules are among the most abundant in the comet's chemical composition and represent an inventory of the first raw materials present in the early Solar System.
Multifunctional benzoin derivatives based macrophotoinitiators: Synthesis, inorganic fillers modification, and fabrication of composite materials
Authors: Ohar Halyna , Tokareva Maria , Nagursky Oleg , Mosnáček Jaroslav , Tokarev Viktor 
Published: April 2022

AbstractPhotopolymer composites are the materials with wide application potential in paints and varnishes, diverse lithographic processes, electronics, medicine, and so forth. Here a new approach to the synthesis of macrophotoinitiators (MPIs) were developed and their effective application for curing polymer composites after immobilization on the surface of diverse mineral fillers was demonstrated. The MPIs were synthesized by reaction of benzoin or 3‐hydroxy‐1,2‐diphenyl‐2‐(propan‐2‐yloxy)propan‐1‐one as a photodissociating species with a copolymer of maleic anhydride with methyl methacrylate as carrier. Chemical structure of MPIs and the content of the tethered photoinitiating moieties were determined using 1NMR‐, IR‐, and UV‐spectroscopies. Photolysis of MPIs was investigated in details using a spot‐light curing system. It was demonstrated that MPIs are effective surface modifiers of mineral fillers, such as titanium dioxide, zinc oxide, and nanohydroxyapatite; and behave as effective photoinitiators. The benefits of using the fillers surface‐modified by MPIs in photo‐curable polymer composites were discussed.
Sodium alginate‐cl‐poly (N,N‐dimethyl acryl amide‐co‐2‐acrylamino‐2‐methyl‐1‐propane sulphonic acid)/titanium dioxide nanocomposite hydrogel: An efficient dye‐removing agent
Authors: Samanta Santu Kumar , Mandal Barun , Tripathy Tridib 
Published: April 2022

AbstractSodium alginate (SAG) crosslinked poly (N,N‐dimethyl Acrylamide‐co‐2 acrylamino‐2‐methyl‐1‐propane sulfonic acid)/Titanium dioxide [SAG‐cl‐poly(N,N‐DMA‐co‐AMPS)/TiO2] nanocomposite hydrogel (NCHG) was prepared by in situ crosslinked free radical polymerization technique using SAG, a mixture of DMA and AMPS and titanium isopropoxide in presence of methylene‐bis‐acrylamide as a cross linking agent. Different characterization techniques are used to characterize NCHG. Water swelling behavior of NCHG together with swelling kinetics is evaluated. Maximum swelling (35% at 30 min) is observed at pH 8. NCHG is used for the removal of one cationic dye methylene blue (MB) and one anionic dye carmosine‐A (CR‐A) from their aqueous solution. Adsorption dynamics, kinetics and isotherms are evaluated. Maximum dye adsorption occurs at pH 8 and 2, at time 50 min for both the cases, at temperature 60°C, 40°C for MB and CR‐A respectively. Pseudo‐second order kinetics and Langmuir isotherm model are followed for all the two cases with Qmax 403.22 mg.g−1, 106.26 mg.g−1 and the R2 value 0.9987 and 0.9950 for MB and CR‐A respectively. Evaluation of thermodynamic parameters of the adsorption indicates that the adsorption is spontaneous in nature for the two dyes.
Healing the divide: From black‐and‐white to a new color
Authors: Smolar Andrew I. , Eichen Ann 
Published: April 2022

AbstractIn this study, the authors identify and describe factors that have contributed to an acrimonious political divide in the United States. Informed by a developmental perspective, the authors first establish the universal motive for group belonging. Next, they describe how group forces have organized citizens into hostile groups built around these variables: expansion of technology, global warming, rising immigration, cultish leader/follower dynamics, religion, national attitudes toward the pandemic, and characteristics of the national leader. The authors propose several solutions to the current divide, including the elevation of the school to the pinnacle of the civic public square.
Protection effectiveness and sea urchin predation risk: The role of roving predators beyond the boundaries of a marine protected area in the Western Mediterranean Sea
Authors: Farina Simone , Ceccherelli Giulia , Piazzi Luigi , Grech Daniele , Panzalis Pieraugusto , Navone Augusto Giuseppe , Guala Ivan 
Published: April 2022

Abstract

Effective marine protected areas (MPAs) increase top predator density. Accordingly, a large abundance of predatory fish potentially increases predation risk for sea urchins inside an MPA.
Intensity of predation was investigated for the sea urchin Paracentrotus lividus at a Mediterranean MPA. Predation rates were estimated for three levels of protection (full, partial, and absent) and two habitats (rocky reefs and Posidonia oceanica meadows). The natural density of sea urchins was correlated with predator biomass (fish sparids Diplodus spp. and Sparus aurata and the gastropod Hexaplex trunculus), and predation risk was evaluated through a tethering experiment.
Significantly higher fish predation was found on the rocky reefs of the fully and non‐protected areas than in the partially protected area. These findings are consistent with the sparid biomass estimated in the fully and partially protected areas. However, a discrepancy between high predation risk and low sparid biomass was detected outside of the MPA's northern boundary, where marine farms (fish and mussels) are present. Benthic predator biomass also increased significantly across the northern boundary, but its predation activity was negligible.
The low predatory fish biomass and low sea urchin density suggest a top‐down control by roving predatory fish on the rocky reefs of the non‐protected area, in proximity to the fish farms. Similarly, a significant gradient of benthic predator biomass and low sea urchin density suggest potential predation interactions inside the P. oceanica meadows across the northern MPA boundary near the mussel farms.
This study highlights deviations from the expected trophic interactions outside the MPA that could be caused by aquaculture activities. Our understanding of the potential synergies between the MPAs and the nearby human activities needs to be broadened to improve the effectiveness of both ecosystem conservation and resource management.
Tuning the Stereoselectivity of an Intramolecular Aldol Reaction by Precisely Modifying a Metal‐Organic Framework Catalyst
Authors: Cornelio Joel , Telfer Shane G. 
Published: April 2022

AbstractWe report the catalysis of an enantioselective, intramolecular aldol reaction accelerated by an organocatalyst embedded in a series of multicomponent metal‐organic frameworks. By precisely programming the pore microenvironment around the site of catalysis, we show how important features of an intramolecular aldol reaction can be tuned, such as the substrate consumption, enantioselectivity, and degree of dehydration of the products. This tunability arises from non‐covalent interactions between the reaction participants and modulator groups that occupy positions in the framework remote from the catalytic site. Further, the catalytic moiety can be switched form one framework linker to another. Deliberately building up microenvironments that can influence the outcome of reaction processes in this way is not possible in conventional homogenous catalysts but is reminiscent of enzymes.
Heterogeneity of social cognitive performance in autism and schizophrenia
Authors: Hajdúk Michal , Pinkham Amy E. , Penn David L. , Harvey Philip D. , Sasson Noah J. 
Published: April 2022

AbstractAutistic adults and those with schizophrenia (SCZ) demonstrate similar levels of reduced social cognitive performance at the group level, but it is unclear whether these patterns are relatively consistent or highly variable within and between the two conditions. Seventy‐two adults with SCZ (52 male, Mage = 28.2 years) and 94 with diagnoses on the autism spectrum (83 male, Mage = 24.2 years) without intellectual disability completed a comprehensive social cognitive battery. Latent profile analysis identified four homogeneous subgroups that were compared on their diagnosis, independent living skills, neurocognition, and symptomatology. Two groups showed normative performance across most social cognitive tasks but were differentiated by one having significantly higher hostility and blaming biases. Autistic participants were more likely to demonstrate fully normative performance (46.8%) than participants with SCZ, whereas normative performance in SCZ was more likely to co‐occur with increased hostility and blaming biases (36.1%). Approximately 43% of participants in the full sample were classified into the remaining two groups showing low or very low performance. These participants tended to perform worse on neurocognitive tests and have lower IQ and fewer independent living skills. The prevalence of low performance on social cognitive tasks was comparable across clinical groups. However, nearly half of autistic participants demonstrated normative social cognitive performance, challenging assumptions that reduced social cognitive performance is inherent to the condition. Subgrouping also revealed a meaningful distinction between the clinical groups: participants with SCZ were more likely to demonstrate hostility biases than autistic participants, even when social cognitive performance was otherwise in the typical range.Lay SummarySocial cognition refers to the perception and interpretation of social information. Previous research has shown that both autistic people and those with schizophrenia demonstrate reduced performance on traditional social cognitive tasks, which we replicate here at the group level. However, we also found that almost half of autistic participants performed in the normal range. Over a third of participants with schizophrenia did as well, but for them this performance was accompanied by a hostility bias not commonly found in the autistic sample. Taken together, findings challenge assumptions that difficulties in social cognition are a uniform characteristic of these clinical conditions in those without intellectual disability.
Methodology for quantifying the impact of repurposing existing manufacturing facilities: case study using pulp and paper facilities for sustainable aviation fuel production
Authors: Brandt Kristin , Camenzind Dane , Zhu J. Y. , Latta Greg , Gao Johnway , Wolcott Michael 
Published: April 2022

AbstractSustainable aviation fuel (SAF) is vital for the reduction of the environmental impact of the aviation industry while decreasing the dependence of the USA on foreign petroleum fuels. To date, SAF, especially from cellulosic feedstocks, have struggled to overcome two barriers: (1) meeting price parity with their petroleum counterparts and (2) the large capital investment required for industrial‐scale biorefineries. Repurposing of industrial facilities has been suggested as a means of addressing both challenges. In this study we look at the financial impact of manufacturing SAF using three repurposing value levels. To demonstrate the application of this methodology, we examine case studies based on a wood‐based alcohol‐to‐jet process. Each level evaluated assumes a different portion of the existing facility is useable. The impact on capital costs and minimum fuel selling price is estimated for generalized case studies as well as for specific case studies spread across multiple regions of the USA. The best economic outcomes are achieved when large‐scale facilities have both inside and outside battery limit assets that can be repurposed. The geospatially explicit variables that have the largest economic impact are feedstock price, feedstock composition, and industrial natural gas price. However, the scale and value of repurposing both outweigh the geospatial variables within reasonable limits. Of the locations studied, the lowest minimum selling price (MSP) of $1.16/L was calculated at the Washington facility, a nearly 19% reduction from a matching scaled greenfield facility, a result of existing equipment and infrastructure reducing total capital investment by one‐third and plentiful feedstock. © 2022 The Authors. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.
Structure characterization and bioactivity of neutral polysaccharides from different sources of Polygonatum Mill
Authors: Wang Feifeng , Jiang Yujie , Jin Shuifeng , Wang Dekai , Wu Kangjing , Yang Qingwen , Han Ruilian , Chen Shaoning , Liang Zongsuo , Jia Qiaojun 
Published: April 2022

AbstractPolygonati rhizoma (PR), a traditional medical and edible product, is rich in polysaccharides and exhibits physiological activity, including antioxidant, hypoglycemic and hypolipidemic properties. Neutral polysaccharides have been reported to be one of the main active ingredients of Polygonatum, with many of these fractions being responsible for the biological activity. This behavior was shown to be closely connected to the chemical structure, monosaccharide composition, and glycosidic bond type. There are few reports on the chemical constituents of the neutral polysaccharides from different sources of PR. In this study, neutral polysaccharides of PR from four different regions of China (Chun'an (Zhejiang), Xixia (Henan), Danfeng (Shanxi), and Pan'an (Zhejiang)), named CAZJ, XXHN, DFSX, and PAZJ, respectively, were isolated by anion‐exchange and gel‐permeation chromatography. Structures of the four polysaccharides were investigated. The results showed that all of them were mainly glucose and mannose, while the monosaccharide composition and content of polysaccharides from different sources varied. The molecular weights of CAZJ, XXHN, DFSX, and PAZJ were 14.119, 22.352, 18.127, and 15.699 kDa, respectively. Infrared spectra illustrated the existence of α‐glycosidic bond and β‐glycosidic bond in the polysaccharides. CAZJ, XXHN, and DFSX possessed a pyranose ring structure, whereas PAZJ had a furanose ring structure. Congo red test indicated that XXHN, DFSX, and PAZJ had a triple‐helix structure. X‐ray diffraction showed that the polysaccharides consisted of crystalline and amorphous regions. All four polysaccharides exhibited different degrees of antioxidant and hypoglycemic activities with a dose‐dependent manner in the 1.0–10.0 mg/mL concentration range. Correlation analysis revealed that the bioactivities of polysaccharides was significantly related to monosaccharide composition, uronic acid, and protein content. The results suggested that neutral polysaccharides could be used as potential natural antioxidants and hypoglycemic agents for functional and nutraceutical applications.