bluuebunny/crossref_metadata_2025_split huggingface dataset:
Clip‐off Chemistry: Synthesis by Programmed Disassembly of Reticular Materials**
Authors: Yang Yunhui , Broto‐Ribas Anna , Ortín‐Rubio Borja , Imaz Inhar , Gándara Felipe , Carné‐Sánchez Arnau , Guillerm Vincent , Jurado Sergio , Busqué Félix , Juanhuix Judith , Maspoch Daniel 
Published: November 2021

AbstractBond breaking is an essential process in chemical transformations and the ability of researchers to strategically dictate which bonds in a given system will be broken translates to greater synthetic control. Here, we report extending the concept of selective bond breaking to reticular materials in a new synthetic approach that we call Clip‐off Chemistry. We show that bond‐breaking in these structures can be controlled at the molecular level; is periodic, quantitative, and selective; is effective in reactions performed in either solid or liquid phases; and can occur in a single‐crystal‐to‐single‐crystal fashion involving the entire bulk precursor sample. We validate Clip‐off Chemistry by synthesizing two topologically distinct 3D metal‐organic frameworks (MOFs) from two reported 3D MOFs, and a metal‐organic macrocycle from metal‐organic polyhedra (MOP). Clip‐off Chemistry opens the door to the programmed disassembly of reticular materials and thus to the design and synthesis of new molecules and materials.
Improving carbon/carbon composites mechanical and thermal properties by the co‐carbonization of pre‐oxidized carbon fiber and pitch
Authors: Li Jie , Yang Zefeng , Zhao Yang , Li Xiang , Wei Wenfu , Li Hao , Tu Chuanjun , Chen Qichen , Yin Guofeng , Wu Guangning 
Published: November 2021

AbstractThe interfacial cracks generated during the high‐temperature carbonization process, caused by the mismatch of thermal shrinkage rate between the fiber and matrix, limit the huge application potential of C/C composites. In this study, pre‐oxidized carbon fiber (OPF) prepared from pitch, as a reinforcement, was introduced into the pitch‐based carbon matrix to realize the co‐carbonization of OPF and pitch. The results showed that the mechanical and thermal properties of the OPF‐reinforced C/C composites were significantly improved. The compressive strength and flexural strength were 136.97 and 46.71 MPa, respectively, both were about 2.5 times higher than those of pristine C/C composites. And OPF‐C/Cs had a carbon residual of about 30% at 800°C, which was 2.8, 4.4, and 2.1 times higher than that of Pristine‐C/Cs, CF‐C/Cs, and MCF‐C/Cs, respectively. The rough surface and abundant active sites of OPF could promote the growth of the graphite microcrystalline structure, resulting in an excellent fiber/matrix interface. Moreover, the adaptive expansion of OPF occurred during the co‐carbonization process with pitch, which inhibited the generation of cracks at the fiber/matrix interface. Owing to its excellent affinity with pitch, OPF is believed to have a wide range of promising applications in high‐performance C/C composites that require high‐temperature treatment.
Synergetic effect of aramid nanofiber‐graphene oxide hybrid filler on the properties of rubber compounds for tire tread application
Authors: Jung Jaehyun , Sodano Henry A. 
Published: November 2021

AbstractThe properties of rubber compounds used in tire tread largely contribute to the overall performance of tires in vehicles. Among the various ingredients used, reinforcing fillers are known for having the most significant effect on the static and dynamic properties of rubber compounds. In this work, two strong nanoscale materials, aramid nanofibers (ANFs) and graphene oxides (GOs), are modified using a silane coupling agent and combined to form a novel hybrid filler. The functionalized ANF/GO (fANF/GO) hybrid filler is obtained by adding functionalized GOs (fGOs) into functionalized ANFs (fANFs). The fANF/GO reinforced rubber compounds are then fabricated and tested to investigate the effect of the novel hybrid filler on mechanical and dynamic mechanical properties. The prepared rubber compounds using hybrid fillers exhibit improved mechanical properties and abrasion resistance compared to rubber compounds only reinforced using fANF or fGO alone and reference compounds. Moreover, dynamic mechanical analysis reveals a 21.8% decrease in the rolling resistance of fANF/GO reinforced rubber samples while preserving wet grip performance. Thus, this research demonstrates the potential of the ANFs and GOs‐based functionalized hybrid fillers for the application of high‐performance tire treads.
Synthesis of cellulose based super absorbent and its excellent oil–water separation properties
Authors: Wang Chun , Zhou Li , Ma Chao , Zhang Lu , Li Yuan 
Published: November 2021

AbstractThe work reported aims to developing the grafted cellulose fiber‐based material (polyethylene wax‐grafted maleic anhydride)/cellulose fiber; PEW‐g‐MA/CF) for efficient absorption of oil from aqueous solution. PEW‐g‐MA/CF was prepared via grafting modification between cellulose fiber and the maleic anhydride modified polyethylene wax, resulting in a cost‐effective approach for synthesizing cellulose‐based oil super absorbent. The as‐prepared PEW‐g‐MA/CF was systematically characterized via Fourier‐transform infrared, atomic force microscope, and thermogravimetric; the influencing factors of oil absorption, including the weight ratio of the raw materials, reaction temperature, and reaction time, were studied and compared. The maximum oil absorbency was up to 19.36 g/g‐1 with the condition of weight ratio 1:1; temperature 60°C; and reaction time 3 h. Overall, PEW‐g‐MA/CF is an environmentally friendly and cost‐effective material for high oil absorption from aqueous solution, and the valuable findings might provide an idea for maximizing the potential of the cellulose‐based absorbents for a variety of applications.
Improving thermal oxidative aging resistance and anti‐reversion property of natural rubber by adding a crosslinking agent
Authors: Jiang Yang , Zhang Yong 
Published: November 2021

AbstractThe reversion during the curing and the poor thermal oxidative aging resistance of natural rubber are two main problems for its use as a tire tread. To solve the problems, a crosslinking agent, 1,6‐bis(N,N′‐dibenzyl thiocarbamoyl dithio)‐hexane (DBTH), is added into natural rubber/carbon black composites. DBTH can increase the crosslink density, improve the mechanical properties and thermal oxidative aging resistance of the composites. The composites with DBTH can maintain good wet‐skid resistance after thermal oxidative aging. When 0.2 phr DBTH is used to substitute 0.1 phr sulfur and 0.1 phr accelerator in a natural rubber/carbon black composite, the reversion during the curing is reduced and the DIN abrasion decreases by 6%, while the modulus and hardness of the composite keep close to the original. Besides, after thermal oxidative aging at 100°C for 48 h, the rate of change of stress at 300% strain of the composite decreases by 27% with the substitution of DBTH.
Assessing the theoretical potential of an expanded model for everyday information practices
Authors: Savolainen Reijo , Thomson Leslie 
Published: November 2021

AbstractThe present study contributes to the development of integrated models for information behavior and practices at the domain‐specific level. To this end, the model for everyday information practices proposed by Savolainen in 2008 is enhanced by integrating the element of information creating, based on Thomson's recent 2018 study. The integration resulted in the expanded model for everyday information practices. Using conceptual analysis, the above model was examined in light of conventional (positivist and post‐positivist) and interpretive (social constructivist) criteria for theory assessment. The findings suggest that the integrated model meets best the interpretive criteria such as meaningfulness and understandability, mutuality of concepts and descriptive logic, empirical verifiability, and usefulness. In contrast, theoretical potential of the model is fairly limited when weighed against the conventional criteria, such as generalization and prediction. Overall, the findings suggest that, in its current form, the expanded model cannot be regarded as a “genuine theory” of everyday information practices. However, the model does incorporate many of the qualities characteristic of social scientific theories, and thus exhibits considerable theoretical potential. This is even more so if the interpretive, naturalistic basis of the data in which the expanded model is based is considered.
Lewontin did not commit Lewontin's fallacy, his critics do: Why racial taxonomy is not useful for the scientific study of human variation
Authors: Roseman Charles C. 
Published: November 2021

AbstractIn 1972, R.C. Lewontin concluded that it follows from the fact that the large majority of human genetic variation (≈ 85%) is among individuals within local populations that racial taxonomy is unjustified. Three decades later, Edwards demonstrated that while the accuracy with which individuals may be assigned to groups is poor for a single locus, consideration of multi‐locus data allows for highly accurate assignments. Edwards concluded that Lewontin's dismissal of racial taxonomy was unwarranted. Edwards misidentified the aim of Lewontin's critique, which was directed at the utility of racial classification and not at assigning individuals to groups using genetic data. Moreover, Edwards conflated distinct kinds of correlation when sketching out his argument. If we follow Edwards’ argument to its natural terminus, it becomes clear that it is consideration of all of the correlation structure among local groups in human genetic data that renders racial taxonomy scientifically useless. Lewontin considers the correlation structure relevant to his analysis of racial taxonomy and does not make his eponymous misstep. Rather, critics of Lewontin who use racial taxonomies in their work are the primary offenders when it comes to committing Lewontin's fallacy.
The effectiveness of a provincial symptom assessment program in reaching adolescents and young adults with cancer: A population‐based cohort study
Authors: Gupta Sumit , Sutradhar Rinku , Li Qing , Coburn Natalie 
Published: November 2021

AbstractBackgroundSymptom control is prioritized by cancer patients and may improve overall survival. Ontario, Canada thus offers all cancer patients screening using the Edmonton Symptom Assessment System (ESAS) at outpatient cancer‐related visits. We determined whether this initiative reached adolescents and young adults (AYA) and factors associated with screening in this population.MethodsWe linked all Ontario AYA diagnosed with cancer 2010–2018 aged 15–29 years to population‐based databases identifying outpatient visits and ESAS screening. For each 2‐week period in the year post‐diagnosis, AYA with cancer‐related visits were categorized as “unscreened” (no ESAS score) versus “screened” (≥1 ESAS score). Demographic and disease‐related covariates were examined.ResultsAmong 5435 AYA, 4204 (77.4%) had ≥1 ESAS screen. Within any 2‐week period, only 30%–44% of AYA attending cancer‐related visits were screened. Patients with hematologic malignancies were least likely to be screened [odds ratio (OR) vs. breast cancer 0.77, 95% confidence interval (95% CI) 0.67–0.88; p < 0.001]. AYA in remote Northern or rural areas had equivalent or higher rates of ESAS screening compared to those in high‐income urban areas. However, AYA living in the lowest income urban neighborhoods were less likely to be screened (OR 0.86, 95% CI 0.77–0.97; p = 0.01).ConclusionsWithin a population‐wide symptom assessment program, while AYA living in rural and remote areas had high rates of screening, than those in low‐income urban areas were substantially less likely to be screened. Though patients with hematologic cancers suffer from particularly high symptom burdens, they were also less likely to be screened. Interventions targeting AYA are required to increase uptake.
(R)‐α‐Trifluoromethylalanine as a 19F NMR Probe for the Monitoring of Protease Digestion of Peptides
Authors: Devillers Emmanuelle , Chelain Evelyne , Dalvit Claudio , Brigaud Thierry , Pytkowicz Julien 
Published: November 2021

AbstractFluorinated non‐natural amino acids are useful tools for improving the bioavailability of peptides but can also serve as fluorinated probes in 19F NMR‐based enzymatic assays. We report herein that the use of the non‐natural α‐quaternarized (R)‐α‐trifluoromethylalanine ((R)‐α‐TfmAla) provides convenient and accurate monitoring of trypsin proteolytic activity and increases resistance towards pepsin degradation.
Weinreb Amide, Ketone and Amine as Potential and Competitive Secondary Molecular Stations for Dibenzo‐[24]Crown‐8 in [2]Rotaxane Molecular Shuttles
Authors: Gauthier Maxime , Coutrot Frédéric 
Published: November 2021

AbstractThis paper reports the synthesis and study of new pH‐sensitive DB24C8‐based [2]rotaxane molecular shuttles that contain within their axle four potential sites of interaction for the DB24C8: ammonium, amine, Weinreb amide, and ketone. In the protonated state, the DB24C8 lay around the best ammonium site. After either deprotonation or deprotonation‐then‐carbamoylation of the ammonium, different localizations of the DB24C8 were seen, depending on both the number and nature of the secondary stations and steric restriction. Unexpectedly, the results indicated that the Weinreb amide was not a proper secondary molecular station for the DB24C8. Nevertheless, through its methoxy side chain, it slowed down the shuttling of the macrocycle along the threaded axle, thereby partitioning the [2]rotaxane into two translational isomers on the NMR timescale. The ketone was successfully used as a secondary molecular station, and its weak affinity for the DB24C8 was similar to that of a secondary amine.
Wellbore Cement – as Simple as It Sounds?
Authors: Czuprat Oliver , Ruch Andreas , Zamora‐Anders Natalie , Lohmeier Sven Jare 
Published: November 2021

AbstractThe oil industry uses Portland cement in their wells, which is manufactured predominantly in accordance with American Petroleum Institute classifications. Also, cements following standards applied in civil/construction engineering are used, which gain importance recently. A field case is reviewed where a cement plug job was performed across the Zechstein formation of a well in a Rotliegend Group and chemical interactions between the cement slurry and a geological formation could be observed. Furthermore, examples for methods to characterize the porosity of the dry cement powder are referenced.
Modelling Photoionisation in Isocytosine: Potential Formation of Longer‐Lived Excited State Cations in its Keto Form
Authors: Segarra‐Martí Javier , Bearpark Michael J. 
Published: November 2021

AbstractThe front cover artwork is provided by Dr. Javier Segarra‐Martí (University of Valencia, Spain) and Prof. Michael J. Bearpark (Imperial College London, UK). The image shows the ultrafast photoionisation of DNA canonical nucleobase cytosine and the slower ionization process in non‐canonical base isocytosine embedded within a DNA backbone. Read the full text of the Article at 10.1002/cphc.202100402.
Early‐life patterns of growth are linked to levels of phenotypic trait covariance and postfledging mortality across avian species
Authors: Merrill Loren , Jones Todd M. , Brawn Jeffrey D. , Ward Michael P. 
Published: November 2021

AbstractLife history studies have established that trade‐offs between growth and survival are common both within and among species. Identifying the factor(s) that mediate this trade‐off has proven difficult, however, especially at the among‐species level. In this study, we examined a series of potentially interrelated traits in a community of temperate‐zone passerine birds to help understand the putative causes and consequences of variation in early‐life growth among species. First, we examined whether nest predation risk (a proven driver of interspecific variation in growth and development rates) was correlated with species‐level patterns of incubation duration and nestling period length. We then assessed whether proxies for growth rate covaried with mean trait covariance strength (i.e., phenotypic correlations (rp), which can be a marker of early‐life stress) among body mass, tarsus length, and wing length at fledging. Finally, we examined whether trait covariance strength at fledging was related to postfledging survival. We found that higher nest predation risk was correlated with faster skeletal growth and that our proxies for growth corresponded with increased trait covariance strength (rp), which subsequently, correlated with higher mortality in the next life stage (postfledging period). These results provide an indication that extrinsic pressures (nest predation) impact rates of growth, and that there are costs of rapid growth across species, expressed as higher mean rp and elevated postfledging mortality. The link between higher levels of trait covariance at fledging and increased mortality is unclear, but increased trait covariance strength may reflect reduced phenotypic flexibility (i.e., phenotypic canalization), which may limit an organism's capacity for coping with environmental or ecological variability.
Depicting the phenotypic space of the annual plant Diplotaxis acris in hyperarid deserts
Authors: Gomaa Nasr H. , Picó F. Xavier 
Published: November 2021

AbstractThe phenotypic space encompasses the assemblage of trait combinations yielding well‐suited integrated phenotypes. At the population level, understanding the phenotypic space structure requires the quantification of among‐ and within‐population variations in traits and the correlation pattern among them. Here, we studied the phenotypic space of the annual plant Diplotaxis acris occurring in hyperarid deserts. Given the advance of warming and aridity in vast regions occupied by drylands, D. acris can indicate the successful evolutionary trajectory that many other annual plant species may follow in expanding drylands. To this end, we conducted a greenhouse experiment with 176 D. acris individuals from five Saudi populations to quantify the genetic component of variation in architectural and life history traits. We found low among‐population divergence but high among‐individual variation in all traits. In addition, all traits showed a high degree of genetic determination in our study experimental conditions. We did not find significant effects of recruitment and fecundity on fitness. Finally, all architectural traits exhibited a strong correlation pattern among them, whereas for life history traits, only higher seed germination implied earlier flowering. Seed weight appeared to be an important trait in D. acris as individuals with heavier seeds tended to advance flowering and have a more vigorous branching pattern, which led to higher fecundity. Population divergence in D. acris might be constrained by the severity of the hyperarid environment, but populations maintain high among‐individual genetic variation in all traits. Furthermore, D. acris showed phenotypic integration for architectural traits and, to a lesser extent, for life history traits. Overall, we hypothesize that D. acris may be fine‐tuned to its demanding extreme environments. Evolutionary speaking, annual plants facing increasing warming, aridity, and environmental seasonality might modify their phenotypic spaces toward new phenotypic configurations strongly dominated by correlated architectural traits enhancing fecundity and seed‐related traits advancing flowering time.
Cobalt, Iron, and Manganese Metallocorroles in Catalytic Oxidation of Water. An Overview of the Synthesis, Selected Redox and Electronic Properties, and Catalytic Activities
Authors: Vaillard Victoria A. , Nieres Pablo D. , Vaillard Santiago E. , Doctorovich Fabio , Sarkar Biprajit , Neuman Nicolás I. 
Published: November 2021

AbstractMetallocorroles have emerged as interesting and versatile catalysts for a variety of redox reactions. These include clean‐energy related small‐molecule activation reactions such as proton, carbon dioxide and dioxygen reductions, as well as water oxidation, for which their ability to undergo several oxidation processes and reach high formal metal oxidation states makes them attractive catalysts. The diversity of substituent and central metal variations in metallocorroles opens up innumerable possibilities to tailor the properties and reactivity of this family of metallomacrocycles, and the richness of the (electro)chemistry and spectroscopy of metallocorroles allows for an array of instrumental techniques to be applied to the study of various (electro)catalytic processes. In this paper, we will succinctly summarize the synthesis of several cobalt, manganese, and iron metallocorroles with different apical ligands, discuss their redox properties and metal versus ligand centered oxidations through selected examples, and review their application in water oxidation (electro)catalysis. We will discuss some of the factors which affect the catalytic activity, some of the proposed mechanistic features and point out what we consider to be open questions and future perspectives in this field.
Stability Enhancements on Methylammonium Lead‐Based Perovskite Nanoparticles: the Smart Use of Host Matrices
Authors: Jančík Ján , Krajcovic Jozef , Brüggemann Oliver , Salinas Yolanda 
Published: November 2021

AbstractDespite the current advancements, yet improving the intrinsic structure and external environmental stability of hybrid metal halide perovskite nanomaterials is required for developing efficient perovskite‐based devices. Up‐to‐date, a very attractive method is growing and/or embedding perovskite nanocrystals within organic polymeric matrices, or into porous inorganic and hybrid nano/micromaterials (e. g., metal‐organic frameworks, mesoporous silica, zeolites, and others), favored through confinement effect within the pores. In this review, we highlighted the last two years of research progress on enhancing the stabilization of perovskite nanoparticles based on methylammonium cations. In the future generation of optoelectronic and photovoltaic devices along with other interesting applied fields, it is predicted that an effective way to trigger the widespread use of this type of perovskite nanocrystals may involve combining different functional host materials, acting as a smarter protection method for the guest nanocrystals.
Benzoporphyrin‐Based Nanocomposites for Photoelectrochemical O2 Reduction
Authors: Keawsongsaeng Wittawat , Seelajareon Hathaichanok , Namuangruk Supawadee , Chitpakdee Chirawat , Chasing Pongsakorn , Promarak Vinich , Sariciftci Niyazi Serdar , Thamyongkit Patchanita 
Published: November 2021

AbstractThis research presents a new series of tetrabenzoporphyrins (TBPs) bearing p‐diphenylaminophenylethynyl and p‐carboxylphenylethynyl groups or two p‐carboxylphenylethynyl groups in a trans‐fashion on a TBP core for photoelectrochemical O2 reduction. Impact of electron‐donating diphenylamino and electron‐withdrawing surface‐anchoring carboxyl groups on photophysical and electrochemical properties of the target TBPs was experimentally and theoretically investigated in comparison with those of their benchmark analog. The results show that while the p‐carboxylphenylethynyl group give an electronic contribution to the molecules by lowering energy gap, the role of the p‐diphenylaminophenylethynyl group is found to be trivial. Preliminary investigation on electrochemical O2 reduction indicates significant catalytic activities of TBP‐modified TiO2/fluorene‐doped tin oxide electrodes at potentials of −0.2 V and −0.3 V vs. normal hydrogen electrode (NHE) in a pH‐neutral and ambient aqueous condition, leading to H2O2 formation. Upon photoirradiation, catalytic performance of such TBP‐based electrodes is further enhanced with the optimum yield obtained when the dicarboxyl derivatives and the potential of −0.3 V vs. NHE are applied. Proposed photoinjection mechanism of the dye/TiO2 simulated by time‐dependent density functional theory calculations supported the experimental results indicating the favorable role of the target TBPs as photoelectrocatalysts in the O2 reduction.