bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fe Single‐Atom Catalysts on MOF‐5 Derived Carbon for Efficient Oxygen Reduction Reaction in Proton Exchange Membrane Fuel Cells
Authors: Xie Xiaoying , Shang Lu , Xiong Xuyang , Shi Run , Zhang Tierui 
Published: December 2021

AbstractThe development of Fe single‐atom catalysts (Fe SACs) with abundant, accessible Fe sites is a key step toward enhancing the efficiency of the oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). In this study, Zn4O(1,4‐benzenedicarboxylate)3 (MOF‐5), which has a 3D microporous cubic structure, is used as the precursor to prepare highly‐porous carbon (denoted as C‐MOF‐5) with an ultrahigh specific surface area (2751 m2 g–1) and high external surface area (1651 m2 g–1). C‐MOF‐5 is demonstrated as an effective carbon support to yield Fe SAC‐MOF‐5 with a large amount of accessible FeNx sites (2.35 wt%). Fe SAC‐MOF‐5 delivers a half‐wave potential of 0.83 V (vs RHE) in a 0.5 m H2SO4 electrolyte, and achieves a peak power density of 0.84 W cm–2 in a 0.2 MPa H2‐O2 PEMFC. This excellent performance originates from the ultrahigh specific surface area of C‐MOF‐5 for the formation of a high density of single Fe atoms, and high external surface area for the increased exposure of active sites. This work may inspire the rational design of metal single‐atom catalysts derived from a wider range of MOF precursors with ultrahigh specific area to improve the performance of the oxygen reduction reaction in PEMFCs.
Effects of puerarin on chronic inflammation: Focus on the heart, brain, and arteries
Authors: Zhang Li , Liu Lisheng , Wang Mingyi 
Published: December 2021

AbstractAge‐associated increases in physical and mental stress, known as allostatic load, could lead to a chronic low‐grade inflammation in the heart, brain, and arteries. This low‐grade inflammation potentially contributes to adverse structural and functional remodeling, such as intimal medial thickening, endothelial dysfunction, arterial stiffening, cardiac hypertrophy and ischemia, and cognitive decline. These cellular and tissue remodeling is the fertile soil for the development of age‐associated structural and functional disorders in the cardiovascular and cerebrovascular systems in the pathogenesis of obesity, type II diabetes, hypertension, atherosclerosis, heart dysfunction, and cognitive decline. Growing evidence indicates that puerarin, a polyphenol, extracted fromPuerara Labota, efficiently alleviates the initiation and progression of obesity, type II diabetes, hypertension, atherosclerosis, cardiac ischemia, cardiac arrythmia, cardiac hypertrophy, ischemic stroke, and cognition decline via suppression of oxidative stress and inflammation. This mini review focuses on recent advances in the effects of puerarin on the oxidative and inflammatory molecular, cellular, tissue events in the heart, brain, and arteries.
An examination of adaptive behavior and functional outcomes in adults with 22q11.2 deletion syndrome: A parental perspective
Authors: Curtin Andrea , Mannion Arlene , Shprintzen Robert J. , Whelan Sally , Coyne Rory , Leader Geraldine 
Published: December 2021

Abstract22q11.2 Deletion Syndrome (22q11DS) is a genetic syndrome caused by a chromosomal microdeletion. It affects approximately 1 in 850–992 pregnancies, and its clinical manifestations include congenital heart disease, gastrointestinal symptoms, and psychiatric illnesses. The study examined the relationship between adaptive behavior and functional outcomes, educational attainment, employment, and independent living, and whether age, gender, intellectual disability, presence of psychiatric disorder, and close friendships could predict levels of adaptive behavior. Parents of adults with 22q11DS (n = 101; 48 male and 54 female) completed the Waisman Activities of Daily Living Scale, demographic details, and questions elicited employment, education, and relationships status. Analysis conducted in SPSS, included descriptive statistics, measures of association, Analysis of Variance, logistic and linear regressions. Differences in levels of overall adaptive behavior were found regarding employment and living status, but not in educational attainment. Having close friendships was associated with adaptive behavior as well as the likelihood of living independently. Further research is needed, ideally using prospective designs and purposive sampling strategies. This needs to examine how social and communication deficits impact relationship building and how they are affected by the clinical manifestations of 22q11DS. It also needs to focus on how different social structures interface with levels of adaptive behavior.
Single‐Ion Lithium Conducting Polymers with High Ionic Conductivity Based on Borate Pendant Groups
Authors: Guzmán‐González Gregorio , Vauthier Soline , Alvarez‐Tirado Marta , Cotte Stéphane , Castro Laurent , Guéguen Aurélie , Casado Nerea , Mecerreyes David 
Published: December 2021

AbstractA family of single‐ion lithium conducting polymer electrolytes based on highly delocalized borate groups is reported. The effect of the nature of the substituents on the boron atom on the ionic conductivity of the resultant methacrylic polymers was analyzed. To the best of our knowledge the lithium borate polymers endowed with flexible and electron‐withdrawing substituents presents the highest ionic conductivity reported for a lithium single‐ion conducting homopolymer (1.65×10−4 S cm−1 at 60 °C). This together with its high lithium transference number t
=0.93 and electrochemical stability window of 4.2 V vs Li0/Li+ show promise for application in lithium batteries. To illustrate this, a lithium borate monomer was integrated into a single‐ion gel polymer electrolyte which showed good performance on lithium symmetrical cells (<0.85 V at ±0.2 mA cm−2 for 175 h).
Preparation of Potassium Acyltrifluoroborates (KATs) from Carboxylic Acids by Copper‐Catalyzed Borylation of Mixed Anhydrides**
Authors: Tung Pinku , Schuhmacher Anne , Schilling Philipp E. , Bode Jeffrey W. , Mankad Neal P. 
Published: December 2021

AbstractWe report the preparation of potassium acyltrifluoroborates (KATs) from widely available carboxylic acids. Mixed anhydrides of carboxylic acids were prepared using isobutyl chloroformate and transformed to the corresponding KATs using a commercial copper catalyst, B2(pin)2, and aqueous KHF2. This method allows for the facile preparation of aliphatic, aromatic, and amino acid‐derived KATs and is compatible with a variety of functional groups including alkenes, esters, halides, nitriles, and protected amines.
Relating Conformational Equilibria to Conformer‐Specific Lipophilicities: New Opportunities in Drug Discovery
Authors: Linclau Bruno , Wang Zhong , Jeffries Benjamin , Graton Jérôme , Carbajo Rodrigo J. , Sinnaeve Davy , Le Questel Jean‐Yves , Scott James S. , Chiarparin Elisabetta 
Published: December 2021

AbstractEfficient drug discovery is based on a concerted effort in optimizing bioactivity and compound properties such as lipophilicity, and is guided by efficiency metrics that reflect both aspects. While conformation–activity relationships and ligand conformational control are known strategies to improve bioactivity, the use of conformer‐specific lipophilicities (logp) is much less explored. Here we show how conformer‐specific logp values can be obtained from knowledge of the macroscopic logP value, and of the equilibrium constants between the individual species in water and in octanol. This is illustrated with fluorinated amide rotamers, with integration of rotamer 19F NMR signals as a facile, direct method to obtain logp values. The difference between logp and logP optimization is highlighted, giving rise to a novel avenue for lipophilicity control in drug discovery.
A strategy of designed anionic metal–organic framework adsorbent based on reticular chemistry for rapid selective capture of carcinogenic dyes
Authors: Feng Meng , Wu Liang , Wang Xirong , Wang Jingyu , Wang Dongmei , Li Chunxia 
Published: December 2021

AbstractIn this work, highly effective and rapid removal of cationic carcinogenic organic dye molecules is achieved through the implementation of a novel anionic metal–organic framework (MOF). Benefit from reticular chemistry, an anionic pts topology‐directed MOF [CH3NH3][In (TPTAB)4]·solvents (In‐TPTAB, H4TPTAB = [1,1′:3′,1″‐terphenyl]‐4,4′,4″,6′‐tetracarboxylic acid) has been solvothermally synthesized. The structural characteristics of high porosity and the large size 1D channel modified by uncoordinated O sites promote In‐TPTAB to be a promising adsorbent material. By ion exchange, In/Cu‐TPTAB exhibits obviously increased BET surface area (248 m2 g−1) compared with In‐TPTAB (55 m2 g−1). More importantly, In‐TPTAB presents commendable performances with the maximum adsorption capacities for toxic dye BR9 and MLB are up to 368 and 304 mg g−1, and the adsorption rates are 10.9 and 6.7 mg g−1 min−1, respectively. It is noteworthy that the high‐efficiency capacity of In‐TPTAB in capturing dyes surpasses many reported adsorbent materials. The mechanism of physical adsorption can be ascribed to the synergistic effect of multiple host‐guest interactions. Coupled with the good recyclable, push In‐TPTAB to be potential used for the removal of cationic organic pollutants
Hantzsch condensation reaction as a spectrofluorometric method for determination of alogliptin, an antidiabetic drug, in pure form, tablet form, and human and rat plasma
Authors: Tammam Azza S. , Gahlan Ahmed A. , Taher Mahmoud A. , Haredy Ahmed M. 
Published: December 2021

AbstractTo analyze alogliptin in its pharmaceutical dosage forms and human plasma, a sensitive, inexpensive, simple, and precise spectrofluorimetric method was developed and tested. This method was also used to investigate the drug’s pharmacokinetic behaviour in the blood of rats. This was based on the Hantzsch reaction, which produces yellowish luminous products that can be detected spectrofluorometrically at 480 and 415 nm for emission and excitation, respectively, when the primary amine group in the examined drug reacts with acetylacetone and formaldehyde. Several experimental parameters that affect the reaction product's development and stability were explored and improved. The curve of fluorescence and concentration for alogliptin was linear in the concentration range 0.05–3.60 μg ml−1. The proposed approach was validated according to International Council for Harmonization criteria. The method was successfully utilized to evaluate the examined drug in dose formulations and spiked human plasma with high accuracy.
Assessment of brain age in posttraumatic stress disorder: Findings from the ENIGMA PTSD and brain age working groups
Authors: Clausen Ashley N. , Fercho Kelene A. , Monsour Molly , Disner Seth , Salminen Lauren , Haswell Courtney C. , Rubright Emily Clarke , Watts Amanda A. , Buckley M. Nicole , Maron‐Katz Adi , Sierk Anika , Manthey Antje , Suarez‐Jimenez Benjamin , Olatunji Bunmi O. , Averill Christopher L. , Hofmann David , Veltman Dick J. , Olson Elizabeth A. , Li Gen , Forster Gina L. , Walter Henrik , Fitzgerald Jacklynn , Théberge Jean , Simons Jeffrey S. , Bomyea Jessica A. , Frijling Jessie L. , Krystal John H. , Baker Justin T. , Phan K. Luan , Ressler Kerry , Han Laura K. M. , Nawijn Laura , Lebois Lauren A. M. , Schmaal Lianne , Densmore Maria , Shenton Martha E. , van Zuiden Mirjam , Stein Murray , Fani Negar , Simons Raluca M. , Neufeld Richard W. J. , Lanius Ruth , van Rooij Sanne , Koch Saskia B.J. , Bonomo Serena , Jovanovic Tanja , deRoon‐Cassini Terri , Ely Timothy D. , Magnotta Vincent A. , He Xiaofu , Abdallah Chadi G. , Etkin Amit , Schmahl Christian , Larson Christine , Rosso Isabelle M. , Blackford Jennifer Urbano , Stevens Jennifer S. , Daniels Judith K. , Herzog Julia , Kaufman Milissa L. , Olff Miranda , Davidson Richard J. , Sponheim Scott R. , Mueller Sven C. , Straube Thomas , Zhu Xi , Neria Yuval , Baugh Lee A. , Cole James H. , Thompson Paul M. , Morey Rajendra A. 
Published: December 2021

AbstractBackgroundPosttraumatic stress disorder (PTSD) is associated with markers of accelerated aging. Estimates of brain age, compared to chronological age, may clarify the effects of PTSD on the brain and may inform treatment approaches targeting the neurobiology of aging in the context of PTSD.MethodAdult subjects (N = 2229; 56.2% male) aged 18–69 years (mean = 35.6, SD = 11.0) from 21 ENIGMA‐PGC PTSD sites underwent T1‐weighted brain structural magnetic resonance imaging, and PTSD assessment (PTSD+, n = 884). Previously trained voxel‐wise (brainageR) and region‐of‐interest (BARACUS and PHOTON) machine learning pipelines were compared in a subset of control subjects (n = 386). Linear mixed effects models were conducted in the full sample (those with and without PTSD) to examine the effect of PTSD on brain predicted age difference (brain PAD; brain age − chronological age) controlling for chronological age, sex, and scan site.ResultsBrainageR most accurately predicted brain age in a subset (n = 386) of controls (brainageR: ICC = 0.71, R = 0.72, MAE = 5.68; PHOTON: ICC = 0.61, R = 0.62, MAE = 6.37; BARACUS: ICC = 0.47, R = 0.64, MAE = 8.80). Using brainageR, a three‐way interaction revealed that young males with PTSD exhibited higher brain PAD relative to male controls in young and old age groups; old males with PTSD exhibited lower brain PAD compared to male controls of all ages.DiscussionDifferential impact of PTSD on brain PAD in younger versus older males may indicate a critical window when PTSD impacts brain aging, followed by age‐related brain changes that are consonant with individuals without PTSD. Future longitudinal research is warranted to understand how PTSD impacts brain aging across the lifespan.
Development of first‐time mothers' sense of shared identity and integration with other mothers in their neighbourhood
Authors: Seppälä Tuija , Riikonen Reetta , Paajanen Paula , Stevenson Clifford , Finell Eerika 
Published: December 2021

AbstractMothers' social integration with other mothers in the same residential area has been shown to be beneficial for their health and well‐being. The socio‐psychological resources afforded by other mothers aid the transition to motherhood. However, much less is known about the processes whereby mothers integrate with other local mothers. Therefore, we analysed first‐time mothers' experiences of social integration with other mothers in the same neighbourhood. Through three waves of semi‐structured interviews, we followed eight Finnish first‐time mothers' everyday lives for a year. The narrative analysis of these longitudinal interviews revealed three story types – social integration, social exclusion and social disconnection – that depicted mothers' different experiences of integration with other local mothers. The perceived similarity of experiences, goals and interests related to motherhood enhanced the development of a shared sense of identity and supported integration with other local mothers. We discuss our findings in relation to the social identity model of identity change (SIMIC).
Multicultural supervision in counseling: A content analysis of peer‐reviewed literature
Authors: Kemer Gülşah , Li Chi , Attia Mina , Chan Christian D. , Chung Mijin , Li Dan , Neuer Colburn Anita , Peters Harvey Charles , Ramaswamy Aparna , Sunal Zahide 
Published: December 2021

AbstractUtilizing a mixed‐methods approach, we examined 14 years of peer‐reviewed multicultural counseling supervision literature. Qualitative content analysis revealed six themes (e.g., interventions, supervisor/supervisee competencies) represented among four categories of methodology (e.g., quantitative, conceptual). We discuss the findings with limitations and offer further areas of multicultural supervision research and practice.
Onset of Flow Reversal in a Vertical T‐channel: Bingham Fluids
Authors: Maurya Anamika , Tiwari Naveen , Chhabra R. P. 
Published: December 2021

AbstractThe commencement of the flow reversal phenomenon is investigated which occurs in the daughter branch of a vertical T‐channel for the flow of Bingham plastic fluids. The combined influences of the imposed forced flow and buoyancy‐driven flow are analyzed at low Reynolds numbers. The mixed convection flow of a Bingham model fluid is explored for a wide range of conditions in terms of Prandtl number, Richardson number, and Bingham number. The critical Richardson number is strongly influenced by the Prandtl number and the yield stress of the Bingham fluids. The dimensionless pressure is seen to decrease with the critical Richardson number. Also, the fractional flow passing through the main branch exhibits a strong direct dependence on the Richardson number while an opposite relationship with Bingham and Prandtl number is observed.
Chiral Dinuclear EuIII, TbIII, and YIII Complexes Supported by P‐Stereogenic Linear Tetraphosphine Tetraoxide
Authors: Tanase Tomoaki , Nakamae Kanako , Okawa Yume , Hamada Mami , Matsumoto Arimasa , Nakajima Takayuki , Nakashima Takuya , Kawai Tsuyoshi 
Published: December 2021

AbstractA P‐stereogenic linear tetraphosphine tetraoxide, (R,R)‐ or (S,S)‐dpmppm(=O)4, was synthesized to prepare C2 dinuclear M(hfa)3 complexes (M=Eu, Tb, Y) as the first example of lanthanide(III) complexes with P‐chiral multidentate phosphine oxides. The mononuclear M(hfa)3 complexes (M=Eu, Y) with a P‐chiral diphosphine dioxide, tpdpb(=O)2, were also prepared, and comparison of their photophysical properties for the EuIII complexes revealed that significant chiral induction from the P‐chiral centers arises on the achiral M(hfa)3 units through intramolecular π‐π stacking constraint in the dinuclear system.
Total Synthesis of Mycinamicin IV as Integral Part of a Collective Approach to Macrolide Antibiotics
Authors: Späth Georg , Fürstner Alois 
Published: December 2021

AbstractThe total synthesis of the 16‐membered macrolide mycinamicin IV is outlined, which complements our previously disclosed, largely catalysis‐based route to the aglycone. This work must also be seen in the context of our recent conquest of aldgamycin N, a related antibiotic featuring a similar core but a distinctly different functionalization pattern. Taken together, these projects prove that the underlying blueprint is integrative and hence qualifies for a collective approach to this prominent class of natural products. In both cases, the final glycosylation phase mandated close attention and was accomplished only after robust de novo syntheses of the (di)deoxy sugars of the desosamine, chalcose, mycinose and aldgarose types had been established. Systematic screening of the glycosidation promoter was also critically important for success.
Rigid Dysprosium(III) Single‐Molecule Magnets Exhibit Preserved Superparamagnetism in Solution
Authors: Ding Xiali , Luo Qiancheng , Zhai Yuanqi , Zhang Xufeng , Lv Yi , Zhang Xinliang , Ke Chao , Wu Chao , Zheng Yanzhen 
Published: December 2021

Comprehensive SummaryMolecules with long preserved magnetic moments are perceived as the smallest units for storing bytes, which could bring a new revolution for information technology. However, the rational design of such molecules remains challenging. Here two rigid adamantanol ligand based dysprosium(III) complexes ([Dy(1‐AdO)2(py)5]BPh4 ‐ 1 and [Dy(2‐AdO)2(py)5]BPh4 ‐ 2) with pentagonal‐bipyramidal coordination geometry and local D5h symmetry were successfully prepared, which display excellent single‐molecule magnet (SMM) behavior (Ueff ≈ 1835 K, TBZFC ≈ 24 K, TB100s ≈ 17 K and TBH = 23 K for 1; Ueff ≈ 1756 K, TBZFC ≈ 20 K, TB100s ≈ 16 K and TBH = 23 K for 2) due to the much weakened vibration in low energy regimes. Remarkably, the large energy barriers and high blocking temperatures for these two complexes in solid states are well preserved in solution. This is never observed in previous studies of SMMs, indicating that the adamantanol is rigid and can be introduced to make the composed molecules stable enough to maintain the solid state magnetic property in solution.
Experimental study on the relationship between the harmony and cognitive load of business intelligence dashboard color combinations
Authors: Wu Qi , Tan Zhanglu , Liu Jie 
Published: December 2021

AbstractThe color combination is an important factor affecting dashboard visual design and is key to triggering the operator's visual harmony and emotion. However, in the actual design process, the relationship among the different color schemes of a dashboard and the operator's harmony, pleasure, and cognitive load has not been effectively analyzed. To solve this problem, two methods, questionnaire measurement and eye movement tracking, were used to evaluate the effects of 24‐color combinations under four‐color schemes of a dashboard by analyzing the changes in color harmony, pleasure, eye movement indicators. The four schemes were red–yellow–blue, green–purple–orange, blue green–blue purple–yellow green, and red orange–yellow orange–red purple. The research results show that the degrees of color harmony and pleasure show a positive correlation. Cognitive load is not affected by color harmony. The larger the amount of information, the higher the cognitive load. This research can be used as a reference when designing and optimizing the color scheme of a business intelligence dashboard.
The omicron variant of SARS‐CoV‐2: Understanding the known and living with unknowns
Authors: Ingraham Nicholas E. , Ingbar David H. 
Published: December 2021

AbstractThe recently discovered Omicron variant of SARS‐CoV‐2 has rapidly burst into the public and scientific eye, being detected in more than 26 countries around the world. Given its more than 50 mutations, there is widespread concern about its public health impact, leading the World Health Organization to designate it a variant of concern. This Commentary provides a summary of current knowledge and unknowns about this viral variant as of December 2, 2021 and summarizes the key questions that need to be rapidly answered.
Reliable controller placement in software‐defined networks using reliability covering graph and irregular cellular learning automata
Authors: Gholamrezaei Reza , Mirjalily Ghasem , Emadi Sima 
Published: December 2021

SummarySoftware‐defined networking is a new paradigm in network management that has received much attention in recent years. One of the important challenges in designing software‐defined networks (SDNs) is the reliable controller placement problem (RCPP) that is the problem of finding the number and locations of controllers to satisfy the reliability requirements. The high complexity of exact reliability measurement led researchers to use estimation techniques that results in overestimating the number of controllers and incorrect placement. In this paper, we introduce a new concept named reliability covering graph (RCG) that enables us to use the exact reliability measurement (ERM) methods in solving the RCPP with desired level of complexity. To construct the RCG, for each candidate node, a subgraph with the adjustable radiusris extracted from the network graph. In the next step, the RCG is developed by calculating the exact reliability between the central node and any other nodes in the resulting subgraphs. In the last step, the RCG is converted to a machine learning tool named irregular cellular learning automata (ICLA) that determines the number and locations of controllers as well as the switches they cover. To study the efficiency of the proposed method, its performance is compared with the optimal results obtained from the ILP solver. The simulation results of 800 case studies on 100 standard topologies show that the average difference in results is 0.00125. Thanks to our innovative structure RCG, the number of controllers required is significantly reduced compared to previous methods.