bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design of on‐farm precision experiments to estimate site‐specific crop responses
Authors: Alesso Carlos Agustín , Cipriotti Pablo Ariel , Bollero Germán Alberto , Martin Nicolas Federico 
Published: December 2020

AbstractSite‐specific prescriptions require estimating response functions to controllable inputs across the field. The methodology of applying geographically weighted regression to on‐farm precision experimentation studies opens new opportunities to study site‐specific responses to inputs in farmers' fields by locally estimating the regression coefficients. However, the effect of the experiment's spatial layout, such as plot dimensions and randomization, and spatial structure of the yield response on the experiment performance are yet to be studied. Detailed information about these effects is needed to improve trial design to detect site‐specific responses. A simulation study was conducted using 14,400 fields of 37 ha and 9‐m resolution. Coefficients from a spatial variable response function were drawn from five random fields generated by unconditional Gaussian geostatistical simulations. Four levels of nitrogen were assigned to plots using 18 systematic and randomized chessboard designs with different plot sizes. Simulated yield data was obtained by combining the coefficients, treatment, and random error. The effect of spatial structure and the designs was assessed with measures of agreement between the true and estimated maps of regression coefficients. The ability to capture or approximate the true spatial pattern of the response function increased as the underlying response function's spatial structure increases. Overall differences in performance between design were observed across the spatial structure tested, mostly related to randomization and plot dimensions. In general best results were achieved by systematic designs with small or intermediate plot sizes (r = 0.54 ± 0.05, MAE = 0.005 ± 0.0005, SDR = 0.81 ± 0.06, and CP = 0.50 ± 0.04). Our methodology provides a path for testing designs under different spatial variability scenarios.
Design of formulated products integrating heuristic knowledge and consumer assessment
Authors: Arrieta‐Escobar Javier A. , Camargo Mauricio , Morel Laure , Bernardo Fernando P. , Orjuela Alvaro , Wendling Laurent 
Published: December 2020

AbstractThis work proposes a systematic approach for the design of formulated products incorporating consumer assessment and heuristic knowledge. The methodology is divided into two main phases: Consumer assessment and product realization. In the first part, product attributes valued by consumers and their interactions are identified through usability tests performed on a reference product, and fuzzy integral analysis. In the second phase, alternative product formulations are generated using a mixed‐integer optimization approach, which incorporates heuristic rules regarding the choice of ingredients and their amounts. The results from the consumer assessment phase are transformed into additional heuristics and incorporated into the design. Different alternative formulations are generated at a lab‐scale, by using two commercial skin moisturizers as references. Those formulations that included additional heuristics are shown to be more similar to the references. As a result, the incorporation of consumer preferences significantly reduced the time and resources spent on the design process.
Aktuelle Trends zu Metall‐organischen und kovalenten organischen Netzwerken als Membranmaterialien
Authors: Hosseini Monjezi Bahram , Kutonova Ksenia , Tsotsalas Manuel , Henke Sebastian , Knebel Alexander 
Published: December 2020

AbstractMetall‐organische Netzwerke (MOFs) und kovalente organische Netzwerke (COFs) wurden in den letzten Jahren intensiv auf Anwendungen als Gastrennmembranen untersucht. Seitdem wurden modernste Präparationsverfahren für MOFs und COFs als Partikel, Dünnschichtmembranen und als Mixed‐Matrix‐Membranen (MMMs) entwickelt. Es werden neuartige Verfahren und hochfunktionale Materialien vorgestellt: Zeolithische Imidazolat‐Netzwerke (ZIFs) können zu Gläsern umgeformt werden, und ein Einblick in ihre Verwendung für Membranen wird gegeben. Im Weiteren bieten Flüssigkeiten mit permanenter Porosität eine Flüssigprozessierbarkeit zur Herstellung extrem potenter MMMs. Auch MOF‐Materialien, die durch externe Stimuli beeinflusst werden, zeigen neue Wege zur Steigerung der Effizienz durch In‐situ‐Techniken auf. Gegenwärtig werden COFs mit ihren großen Poren z. B. für das Quantensieben genutzt, und durch Ausnutzung ihres Stapelverhaltens sind auch molekularsiebende COF‐Membranen möglich. In ähnlicher Weise können poröse Polymere unter Verwendung von MOF‐Templaten hergestellt werden, die dann in Gastrennmembranen Verwendung finden.
Preparation and properties of modified aluminum diethylphosphinate flame retardant for low‐density polyethylene
Authors: Liu Ben , Xu Jiacheng , Xue Honglai , Shu Zhongjun , Xu Guoguang , Ou Hongxiang , Weng Yunxuan 
Published: December 2020

AbstractTo improve the flame retardancy of low‐density polyethylene (LDPE) and mechanical properties of LDPE composites, phenol‐formaldehyde aluminum diethylphosphinate microcapsules (PF@ADP) was prepared by in‐situ polymerization with phenol‐formaldehyde (PF) resin as the wall material and halogen‐free flame‐retardant aluminum diethylphosphinate (ADP) as the core material. The effects of PF@ADP on flame retardancy and mechanical properties of LDPE were investigated by methods of combustion experiments, mechanical analysis, thermogravimetric analysis (TGA), and smoke density analysis. The results indicated that, compared with ADP/LDPE composites, the flame retardancy and mechanical properties of PF@ADP/LDPE were obviously improved. With the addition of 20 wt% PF@ADP (PF:ADP = 3:7), the limit oxygen index (LOI) of LDPE composites increased to 30.7% and UL‐94 reached V‐1 grade. The tensile strength and elongation at break reached 12.5 MPa and 431.2%, which was 20.2% and 23.1% higher than that of ADP/LDPE with the same addition. The addition of PF@ADP was beneficial to the smoke suppression of LDPE.
Investigations on optical properties of Eu0.5Sm0.5(TTA)3tppo hybrid organic complexes molecularly doped in PMMA and PS matrices
Authors: Ugale Akhilesh , Kalyani N. Thejo , Dhoble S.J. 
Published: December 2020

AbstractAn attempt has been made to synthesize orange–red light‐emitting rare earth‐doped polymer matrices Eu0.5Sm0.5(TTA)3tppo (Eu = europium, Sm = samarium, TTA = thenoyltrifluoroacetone, tppo = triphenylphosphine oxide) hybrid organic complex by solution technique. Blended thin films were made by molecularly doping the complex in polymethylmethacrylate (PMMA) and polystyrene (PS) polymers at different weight percentages (5%, 10%). These films were solvated in basic and acidic media to explore the effect of solvent on its luminescence properties. UV–visible absorption spectra of these solvated films portray two peaks corresponding to π→π* and n→π* optical transitions in the range 240–275 nm and 370–390 nm in basic medium. Energy band gap of these thin films in basic medium was found between 3.16 eV to 3.20 eV and 3.12 eV to 3.22 eV in acidic medium. Photoluminescence spectra of all films in dichloromethane showed an intense peak at 614 nm, whereas in formic acid, the same were found at 475 nm, which fell in the orange–red and blue region of the visible spectrum, respectively. CIE coordinates of these solvated films in various solvents and at different weight percentages revealed tunable orange–red to blue light emission with change in polarity of the solvent. Therefore the synthesized complexes blended in the polymers can be shaped into flexible films for fabrication of organic light‐emitting diodes (OLEDs) with consistent results, proving their prospect as colour tunable light emissive materials for OLED devices, lasers, displays, and solid‐state lighting.
Mitochondrial transplantation therapy inhibit carbon tetrachloride‐induced liver injury through scavenging free radicals and protecting hepatocytes
Authors: Zhao Zizhen , Hou Yixue , Zhou Wei , Keerthiga Rajendiran , Fu Ailing 
Published: December 2020

AbstractCarbon tetrachloride (CCl4)‐induced liver injury is predominantly caused by free radicals, in which mitochondrial function of hepatocytes is impaired, accompanying with the production of ROS and decreased ATP energy supply in animals intoxicated with CCl4. Here we explored a novel therapeutic approach, mitochondrial transplantation therapy, for treating the liver injury. The results showed that mitochondria entered hepatocytes through macropinocytosis pathway, and thereby cell viability was recovered in a concentration‐dependent manner. Mitochondrial therapy could increase ATP supply and reduce free radical damage. In liver injury model of mice, mitochondrial therapy significantly improved liver function and prevented tissue fibrogenesis. Transcriptomic data revealed that mitochondrial unfold protein response (UPRmt), a protective transcriptional response of mitochondria‐to‐nuclear retrograde signaling, would be triggered after mitochondrial administration. Then the anti‐oxidant genes were up‐regulated to scavenge free radicals. The mitochondrial function was rehabilitated through the transcriptional activation of respiratory chain enzyme and mitophage‐associated genes. The protective response re‐balanced the cellular homeostasis, and eventually enhanced stress resistance that is linked to cell survival. The efficacy of mitochondrial transplantation therapy in the animals would suggest a novel approach for treating liver injury caused by toxins.
Interpersonal injustice and perceived legitimacy of authority: The role of institutional trust and informational justice
Authors: Liang Juan , Ma Hongyu 
Published: December 2020

AbstractThis study explained why interpersonal injustice enacted by representatives of an authority might undermine perceived legitimacy of the actual authority. We built a moderated mediation model in which institutional trust was the mediator, and informational justice was the moderator, in the relationship between interpersonal injustice and perceived legitimacy of authority. Study 1 showed that interpersonal injustice negatively influenced perceived legitimacy of authority. Study 2 indicated that institutional trust was a significant mediator of the relationship between interpersonal injustice and perceived legitimacy of authority. Study 3 indicated that institutional trust was a significant mediator of the relationship between interpersonal injustice and perceived legitimacy of authority when an explanation was absent, whereas it was not significant when explanation was given. These findings contribute to the literature by identifying components that shape the psychological process of forming legitimacy perceptions of authority.
N‐Methylated Analogs of hIAPP Fragments 18–22, 23–27, 33–37 Inhibit Aggregation of the Amyloidogenic Core of the Hormone
Authors: Rozniakowski Kamil , Galecki Krystian , Wietrzyk Joanna , Filip‐Psurska Beata , Fraczyk Justyna , Kaminski Zbigniew J. , Kolesinska Beata 
Published: December 2020

AbstractAmylin (hIAPP) aggregation leads to the formation of insoluble deposits and is one of the factors in the development of type II diabetes. The aim of this research was to find N‐methylated analogs of the aggregating amylin fragments 18–22, 23–27, and 33–37, which would not themselves be susceptible to aggregation and would inhibit the aggregation of the amyloidogenic cores of the hormone. None of the analogs of fragment 18–22 containing one or two N‐methylated amino acid residues showed any tendency to aggregate. Only the peptide H−F(N−Me)GA(N−Me) IL−OH (6) derived from the 23–27 hIAPP hot spot did not form fibrous structures. All analogs of the 33–37 amylin fragment were characterized by the ability to form aggregates, despite the presence of N‐methylated amino acids in their structures. N‐Methylated peptides 1–5 demonstrated inhibitory properties against the aggregation of fragment 18–22. Aggregation of the amyloidogenic core of 23–27 was significantly inhibited by N‐methylated peptides 1–3 derived from the (18–22) H−HSSNN−OH fragment and by the H−F(N‐Me)GA(N−Me)IL−OH (6) fragment derived from the 23–27 amylin hot spot. Fragment (33–37) H−GSNTY−NH2 was found to be inhibited in the presence of N‐methylated peptides 1–3 derived from the 18–22 fragment and by the double methylated peptide H−F(N−Me)GA(N−Me)IL−OH (6). Research on the possibility of using N‐methylated analogs of amyloidogenic amylin cores as inhibitors of hormone aggregation is ongoing, with a focus on finding the minimum concentration of N‐methylated peptides capable of inhibiting the aggregation of hIAPP hot spots.
Sponge cake baking quality—An 18‐year retrospective
Authors: Morris Craig F. , Kiszonas Alecia M. , Thompson Yvonne A. , Engle Douglas A. 
Published: December 2020

AbstractBackground and objectivesSponge cake quality is an essential end‐use trait for U.S. Pacific Northwest (PNW) soft white (SW) wheat. This study examined sponge cake volume of SW winter wheat germplasm from 48 balanced datasets spanning 18 years.FindingsHalf of the datasets returned significant whole model and variety ANOVA F‐values, compared to 35 with significant whole model and environment F‐values, indicating that environment was in general the greater source of variation. Low (mean 3.1%) coefficients of variation suggested that nonsignificant variety F‐values were due to no substantive genetic variation (as opposed to high error variance). Datasets with only two environments rarely returned significant whole model F‐values, and never significant genotype F‐values, whereas 93% of datasets with ≥5 environments had significant ANOVA models. Nevertheless, significant models did not always delineate genotypes. Infrequently were significant differences detected among the commercial varieties.ConclusionsIn terms of sponge cake volume, PNW soft white winter wheat varieties, especially club wheats varieties, are genetically similar and consistent. ANOVA indicated that varieties need to be grown in ≥5 environments to detect small genotype differences.Significance and noveltySponge cake quality has remained remarkably consistent among commercial soft white winter wheat varieties over 18 years of breeding and selection. The results indicate this consistency may be due to effective testing and selection, a narrow genetic germplasm base, or a combination thereof.
Hydrogen‐Bonding as a Factor to Determine the Regioselectivity for Pd‐mediated C−H Activation of Pyridine
Authors: Haines Brandon E. , Musaev Djamaladdin G. 
Published: December 2020

AbstractDirect and regioselective functionalization of pyridine is a topic of high scientific and technological importance. In spite of extensive efforts, the regioselective functionalization of pyridine still remains a significant challenge due to their low reactivity and presence of Lewis‐basic sp2 nitrogen. Here, we studied the effect of hydrogen bonding interactions on the regiochemical outcome of Pd‐mediated C−H activation of pyridine by utilizing DFT calculations. We demonstrated that hydrogen bonding can act as a second independent factor to override the inherent regioselectivity of pyridine. This novel approach complements previously reported strategies, such as: (a) coordination of pyridine to transition metal center via its N‐center, (b) installation of directing group (DG) and then coordination of pyridine to the transition metal center via this DG (i. e. chelation assistant strategy), (c) protection of its nitrogen lone pair with N‐oxide or N‐imino groups or with Lewis acids, (d) the inherent positional reactivity of C−H bonds based on the electronic or steric properties of the substituents, and (e) by the identity of the oxidant used. We have also demonstrated that the oxidation state of the Pd catalyst has impact on the regiochemical outcome of the C−H activation step in pyridine. The implications of our study for regioselective C−H functionalization catalyst design of heteroarenes are twofold: It demonstrates (1) hydrogen bonding as a viable design principle, and (2) Pd(IV) as a catalyst for C−H functionalization.
High Voltage Carbon‐Based Cathodes for Non‐Aqueous Aluminium‐Ion Batteries**
Authors: Divya Shalini , Nann Thomas 
Published: December 2020

AbstractFour different forms of carbon: activated carbon (AC) from human hair, AC from hemp fibers, a carbon fullerene extract consisting of C60 and C70 fullerene (CFEx) and Super‐P carbon black were tested and compared as cathodes for non‐aqueous aluminium‐ion batteries (AIBs). These materials differ in their general structure, porosity and morphology. Fullerenes display a crystalline structure, whereas hemp fibers, Super‐P and hair are amorphous in nature. Of all materials, AC obtained from hair recorded the highest specific capacity after 50 cycles at 103 mAh g−1 with a Coulombic efficiency of ∼90 % at a current rate of 50 mA g−1. Both hemp fibers and Super‐P achieved their highest specific capacities at 56 mAh g−1 and 84 mAh g−1 respectively. CFEx recorded its highest capacity at 78 mAh g−1 and maintained it for 50 cycles. The cells were charged and discharged to 2.45 V and 0.2 V respectively.
Performance Degradation of Lithium‐Ion Batteries with LiNi0.33Co0.33Mn0.33O2 Cathodes during Long‐Term, High‐Temperature Storage: Behaviors and Mechanism
Authors: Wang Zheng , Pang Peipei , Ma Zhen , Chen Hongyu , Nan Junmin 
Published: December 2020

AbstractThe behaviors and mechanism for the different performance degradation trends of 18650 cylindrical lithium‐ion batteries (LIBs) with LiNi0.33Co0.33Mn0.33O2 cathodes under long‐term storage at a high temperature (HT) of 80 °C are investigated to gain insight on the safe use of LIBs. It is indicated that the direct current resistance (DCR) increases sharply within 240 h and then slows down gradually, whereas the open‐circuit voltage (OCV) and the recoverable capacity (RC) fading are relatively stable in the initial 240 h, but then speeds up from 240 h to 720 h. With the aid of analyses of the anode, cathode, and separator materials in batteries stored at 80 °C for 0 h, 240 h, 480 h, and 720 h, the mechanism of the performance degradation of batteries is elucidated. It is pointed out that the DCR rise is mainly caused by the anode materials peeling off from the copper foil, as is the subsequent interface resistance increase. The RC fading is attributed to the partial break of the cathode structure, owing to the dissolution of transition metal ions (Ni2+, Co3+, and Mn4+), and the dissolution becomes more severe as the time extends. In addition, the separator suffers a combination of stretching (machine direction), squeezing (anode side), oxidation (cathode side), and destruction, resulting in internal short circuit and sharp OCV drop, as well as the other potential safety risks of LIBs. These results are valuable to establish an accelerated testing method to evaluate batteries in a short time range to advance the safe use of LIBs under high‐temperature storage.
Selective CO2 Sorption Using Compartmentalized Coordination Polymers with Discrete Voids**
Authors: Miguel‐Casañ Eugenia , Andres‐Garcia Eduardo , Calbo Joaquín , Giménez‐Marqués Mónica , Mínguez Espallargas Guillermo 
Published: December 2020

AbstractCarbon capture and storage with porous materials is one of the most promising technologies to minimize CO2 release into the atmosphere. Here, we report a family of compartmentalized coordination polymers (CCPs) capable of capturing gas molecules in a selective manner based on two novel tetrazole‐based ligands. Crystal structures have been modelled theoretically under the Density Functional Theory (DFT) revealing the presence of discrete voids of 380 Å3. Single gas adsorption isotherms of N2, CH4 and CO2 have been measured, obtaining a loading capacity of 0.6, 1.7 and 2.2 molecules/void at 10 bar and at 298 K for the best performing material. Moreover, they present excellent selectivity and regenerability for CO2 in mixtures with CH4 and N2 in comparison with other reported materials, as evidenced by dynamic breakthrough gas experiments. These frameworks are therefore great candidates for separation of gas mixtures in the chemical engineering industry.
Half‐Integer Spin Triangles: Old Dogs, New Tricks
Authors: Boudalis Athanassios K. 
Published: December 2020

AbstractSpin triangles, that is, triangular complexes of half‐integer spins, are the oldest molecular nanomagnets (MNMs). Their magnetic properties have been studied long before molecular magnetism was delineated as a research field. This Review presents the history of their study, with references to the parallel development of new experimental investigations and new theoretical ideas used for their interpretation. It then presents an indicative list of spin‐triangle families to illustrate their chemical diversity. Finally, it makes reference to recent developments in terms of theoretical ideas and new phenomena, as well as to the relevance of spin triangles to spintronic devices and new physics.
Fully Conjugated Ladder Polymers as Metal‐Free Photocatalysts for Visible‐Light‐Driven Water Oxidation
Authors: Ma Xiaoyu , Wang Haiyun , Cheng Jun , Cheng Hao , Wang Lei , Wu Xiaojun , Xu Hangxun 
Published: December 2020

Main observation and conclusionGreen plants and algae utilize complicated yet delicate structures to oxidize water into molecular oxygen while releasing electrons for dark reactions. The photocatalytic water oxidation reaction in photosystem II is challenging as it involves in transferring multiple electrons and protons and requires a large overpotential. Herein, for the first time, we report that conjugated ladder polymers with suitable band structures are potential metal‐free photocatalysts for efficient and stable water oxidation. Two structurally similar conjugated ladder polymers are synthesized via the condensation reaction between amine‐ and ketone‐containing monomers. Photocatalytic tests reveal that different polymer structures exhibit different photocatalytic performances which are determined by their inherent optoelectronics properties. Meanwhile, our first‐principles calculations confirm that photocatalytic water oxidation is thermodynamically feasible for both conjugated ladder polymers under visible light irradiation. Our study unveils a novel class of polymer materials for the water oxidation reaction and further indicates that metal‐free photocatalysts hold great potential for future solar‐to‐chemical conversion.