bluuebunny/crossref_metadata_2025_split huggingface dataset:
Integration of Cation–π Interactions with Polyphenols for Super‐Hydrophilic Coatings
Authors: Zhang Peiyu , Geng Huimin , Gao Zhiliang , Hao Jingcheng , Cui Jiwei 
Published: September 2022

AbstractCation–π interaction is one of the most important noncovalent interactions found in biosystems, which has attracted great interests for the engineering of functional materials. In this work, one‐step assembly of super‐hydrophilic coatings via surface modification with polyphenols and cations is reported based on cation–π interactions. Hydrophilicity of surface coatings is tunable by the variation of cations based on the different affinity between polyphenols and cations. Copper meshes coated with tannic acid and tetramethylammonium demonstrate super‐hydrophilicity and high stability due to the strong cation–π interaction between catechol/pyrogallol and cations. The super‐hydrophilic coatings show high oil breakthrough pressure, self‐cleaning, and anti‐fogging properties, which can efficiently separate the mixture of oil and water. This study provides an avenue to explore the cation–π interactions for super‐hydrophilic coatings.
A New Approach to Polymorphism in Molecular Crystals: Substrate‐Mediated Structures Revealed by Lattice Phonon Dynamics
Authors: Salzillo Tommaso , Brillante Aldo 
Published: September 2022

AbstractThe issue of polymorphism in molecular crystals is discussed, taking into account the substrate‐mediated structures, that is, structures grown at the interface of different substrates. Bulk and thin films of a compound both share the potentiality to display different crystal forms. However, unlike bulk polymorphs, whose structures are determined by their different molecular packing, thin film structures depend very much on the molecular organization of the organic layers on the substrate, which may, or may not, lead to an ordered structure, depending on the nature of the interface and on the growth conditions. Based on large part in some of the authors’ recent works, these thin film structures are classified as distorted bulk, substrate‐selected and substrate‐stabilized polymorphs, with some subtle differences which may yield a polymorph to belong not exclusively to a single one of these categories. Some experiments are then focused upon, involving charge transport at the interface, as well as how far the effect of the surface goes. Furthermore, the authors comment on how the surface‐mediated structures evolve to the single crystal phase in the cases of pentacene and α‐sexithiophene. Finally, the transition from a 3‐ to a 2D regime of growth is shortly discussed in terms of low‐dimensional disorder.
A Pure Blue Phosphorescent Organic Light‐Emitting Diode with an External Quantum Efficiency of Over 30% by Using a Tandem Device Architecture
Authors: Chen Zhao , Tian Naifan , Tao Peng , Chen Shuming , Ma Dongge , Wang Lixiang , Wong Wai‐Yeung 
Published: September 2022

AbstractAchieving efficient deep blue phosphorescent organic light‐emitting diodes (PHOLEDs) is one of the most difficult and challenging targets nowadays, especially when the Commission Internationale de l'Eclairage (CIE) chromaticity coordinates of y values are smaller than 0.1. Herein, tandem device architectures are fabricated by using an iridium(III) carbene phosphor. In the tandem structures, two electroluminescent units are stacked and connected by a charge generation layer (CGL) which consists of dipyrazino[2,3‐f:2′,3′‐h]quinoxaline‐2,3,6,7,10,11‐hexacarbonitrile (HATCN) and 4,4′‐(cyclohexane‐1,1‐diyl)bis(N,N‐di‐p‐tolylaniline) (TAPC). Meanwhile, 4,6‐bis(3,5‐di(pyridine‐3‐yl)phenyl)‐2‐methylpyrimidine (B3PYMPM) and diphenyl‐4‐triphenylsilylphenyl phosphine oxide (TSPO1) are used as electron transport layers. The best device gives an external quantum efficiency of 32.3% with the CIE coordinates of (0.15, 0.10), which is among the most efficient blue PHOLEDs made by iridium(III) phosphors. The pure blue emission and high performance are mainly attributed to the efficient and balanced recombination of charge carriers in the two emissive layers, which successfully suppresses the exciplex formation and efficiently confines the triplet excitons.
Efforts Towards Control of Regioselectivity in the Gold(I) Catalyzed Hydration of Internal Alkynes. Effects of Solvent, Temperature and Substrate on Regioselectivity
Authors: Singh Saibal , Dobereiner Graham E. 
Published: September 2022

AbstractInternal alkyne hydration using gold(I) catalysts often shows <5:1 regioselectivity. To explore factors that control selectivity, [(IPr)Au]+ paired with the weakly coordinating anion [IMP‐H] was employed in additive free hydration reactions. Solvent influences the anti‐Markovnikov selectivity of alkylarylacetylene hydration. Although temperature does not impact selectivity, [(IPr)Au(NCMe)][IMP‐H] (C1) is an effective precatalyst for alkyl/alkyl and alkyl/aryl acetylenes at ambient temperature. Overall kinetic behavior of C1 resembles that of other Au hydrofunctionalization reactions of [(IPr)Au]+, where nucleophilic attack and/or proton transfer are turnover limiting. Prospects for improving regioselectivity are discussed.magnified image
Investigating and Resolving Cardiotoxicity Induced by COVID‐19 Treatments using Human Pluripotent Stem Cell‐Derived Cardiomyocytes and Engineered Heart Tissues
Authors: Xu He , Liu Ge , Gong Jixing , Zhang Ying , Gu Shanshan , Wan Zhongjun , Yang Pengcheng , Nie Yage , Wang Yinghan , Huang Zhan‐peng , Luo Guanzheng , Chen Zhongyan , Zhang Donghui , Cao Nan 
Published: September 2022

AbstractCoronavirus disease 2019 continues to spread worldwide. Given the urgent need for effective treatments, many clinical trials are ongoing through repurposing approved drugs. However, clinical data regarding the cardiotoxicity of these drugs are limited. Human pluripotent stem cell‐derived cardiomyocytes (hCMs) represent a powerful tool for assessing drug‐induced cardiotoxicity. Here, by using hCMs, it is demonstrated that four antiviral drugs, namely, apilimod, remdesivir, ritonavir, and lopinavir, exhibit cardiotoxicity in terms of inducing cell death, sarcomere disarray, and dysregulation of calcium handling and contraction, at clinically relevant concentrations. Human engineered heart tissue (hEHT) model is used to further evaluate the cardiotoxic effects of these drugs and it is found that they weaken hEHT contractile function. RNA‐seq analysis reveals that the expression of genes that regulate cardiomyocyte function, such as sarcomere organization (TNNT2, MYH6) and ion homeostasis (ATP2A2, HCN4), is significantly altered after drug treatments. Using high‐throughput screening of approved drugs, it is found that ceftiofur hydrochloride, astaxanthin, and quetiapine fumarate can ameliorate the cardiotoxicity of remdesivir, with astaxanthin being the most prominent one. These results warrant caution and careful monitoring when prescribing these therapies in patients and provide drug candidates to limit remdesivir‐induced cardiotoxicity.
Realizing High Thermoelectric Performance of Ag/Al Co‐Doped Polycrystalline SnSe through Band Structure Modification and Hydrogen Reduction
Authors: Xin Nan , Tang Guihua , Li Yifei , Shen Hao , Nie Yinan , Zhang Min , Zhao Xin 
Published: September 2022

AbstractSingle crystal tin selenide (SnSe) has a recorded high thermoelectric figure of merit (ZT) value of 2.6 at 923 K, but it is easy to form mechanical cracks and difficult to apply in thermoelectric conversion devices. Polycrystalline SnSe has better mechanical properties but inferior ZT values, which needs further optimization for applications. This work aims at enhancing the thermoelectric performance of polycrystalline SnSe through synergistic optimization of sliver (Ag) and aluminum (Al) co‐doping with the hydrogen reduction. The effects of Ag and Al doping on electronic transport properties are systematically investigated by density functional theory calculation and experimental measurement. Compared with pristine SnSe, Ag doping can effectively increase the hole concentration to 1.58 × 1019 cm−3 and improve the conductivity. Results also indicate that using Al dopant may slightly decrease the hole concentration but reduce the thermal excitation temperature, and introduce point defects reducing the lattice thermal conductivity through scattering phonons. In addition, the hydrogen reduction of sample powders before synthesis can effectively remove Sn oxides and reduce lattice thermal conductivity. At last, a state‐of‐the‐art maximum ZT value of 1.69 at 823 K is obtained in Ag0.01Al0.01Sn0.98Se. This study provides a theoretical basis and technical guidance for designing high‐performance polycrystalline SnSe.
Quantifying the Effects of Inhomogeneity and Doping on the Electronic Contribution to Thermal Conductivity in Semiconducting Polymers
Authors: Hanus Riley , Gregory Shawn A. , Adams Michael J. , Graham Samuel , Yee Shannon K. 
Published: September 2022

AbstractQuantifying contributions to thermal conductivity from electrons and atomic vibrations in doped semiconducting polymers is important for heat transfer. Several studies report Lorenz numbers (L) that are larger than the Sommerfeld limit (L0), counterintuitively implying that charge carriers in semiconducting polymers carry more heat than those in metals. Alternatively, this phenomenon can be explained by recognizing that semiconducting polymers often contain insulating and conducting domains. Microstructures can lead to misinterpretation of the effective Lorenz number (Leff) observed macroscopically. Herein, effective medium theory (EMT) shows that inhomogeneity can result in macroscopic measurements where Leff  ≠ L0, even when each component exhibits L0 at the microscopic level. The authors then extend the semi‐localized transport (SLoT) model to explain the origins of the large Leff values, validating with the prototypical poly(3,4‐ethylenedioxythiophene) system. This electro‐thermal extension of the SLoT model (ET‐SLoT) improves the ability to engineer the electronic contribution to thermal conductivity of semiconducting polymers.
Copper‐Decorated Iron Carbide Nanoparticles Heated by Magnetic Induction as Adaptive Multifunctional Catalysts for the Selective Hydrodeoxygenation of Aldehydes
Authors: Lin Sheng‐Hsiang , Hetaba Walid , Chaudret Bruno , Leitner Walter , Bordet Alexis 
Published: September 2022

AbstractCopper‐decorated iron carbide nanoparticles (Cu@ICNPs) are prepared following an organometallic approach, producing a multifunctional catalytic system that can be heated magnetically. ICNPs act as heating agents, generating thermal energy from the alternating current magnetic field in an extremely localized, rapid, and efficient manner, thereby heating and activating the catalytically active Cu‐containing NPs present at their surface. Upon exposure to magnetic induction, the Cu@ICNPs catalyst is capable of selectively hydrodeoxygenating aromatic aldehydes under mild observable conditions (≈100 °C, 3 bar H2), without hydrogenation of the aromatic ring. A large scope of benzylic and non‐benzylic aldehydes including key biomass‐derived platform chemicals could be effectively converted to valuable aromatic alkanes. In addition, the Cu@ICNPs catalytic system is found adaptive to intermittent electricity supply, which is of great interest when considering the use of alternative renewable energy sources. In contrast, Cu@ICNPs, ICNPs, or Cu NPs show low activity when heated conventionally, even up to 200 °C. This work demonstrates the possibility to use magnetic induction heating to perform challenging hydrodeoxygenation reactions at mild pressure and temperature with noble metal‐free catalysts, while being able to cope with fluctuating energy sources.
Can Nanosecond Laser Achieve High‐Performance Perovskite Solar Modules with Aperture Area Efficiency Over 21%?
Authors: Gao Yanyan , Liu Chong , Xie Yi , Guo Rilang , Zhong Xuqi , Ju Huanxin , Qin Li , Jia Peng , Wu Shaohang , Schropp Ruud E. I. , Mai Yaohua 
Published: September 2022

AbstractOvercoming cell‐to‐module (CTM) efficiency losses is indispensable to realize large‐area high‐efficiency perovskite photovoltaic devices for commercialization. Laser scribing technology is used to fabricate perovskite modules, but it does not seem to solve the problem of high‐quality interconnection and high geometric filling factor (GFF), which are the prerequisites for overcoming CTM losses. In reality, what kind of laser technology is needed to fabricate high‐efficiency perovskite solar modules is still an open question. Herein, this work demonstrates that a nanosecond pulse laser is able to deliver a reduced heat‐affected zone due to the small thermal diffusion coefficient (Dt) of perovskite material, contributing to the accomplishment of a high GFF of up to 95.5%. In addition, the monolithic interconnection quality is improved by finely lifting off the capping layers on indium tin oxide and identifying the residue within the scribed area. As a result, a certified aperture area efficiency of 21.07% under standard 100 mW cm−2 AM1.5G illumination is achieved with a high photovoltaic fill factor exceeding 80%. The present study provides guidance in overcoming key CTM efficiency losses in perovskite photovoltaic technology.
Does agroecosystem management mitigate historic climate impacts on dryland winter wheat yields?
Authors: Miner Grace L. , Stewart Catherine E. , Vigil Merle F. , Poss David J. , Haley Scott D. , Jones‐Diamond Sally M. , Mason R. Esten 
Published: September 2022

AbstractGlobal studies that quantify climate effects on crop yields using top‐down spatial frameworks are invaluable for assessing generalized effects on world food supplies, yet do not contain the resolution necessary to identify local mediating effects of management. Our objectives were to identify (a) what climate factors have historically affected winter wheat (Triticum aestivum L.) yields in eastern Colorado, (b) how management may mitigate climate impacts, and (c) the potential for varietal selection to climate extremes. We paired long‐term yield data for wheat in rotations that varied in management (tillage intensity, with and without fallow) with robust on‐site weather data. We also used data from colocated variety trials to investigate trade‐offs between mean yields and the ability to withstand water and temperature stress. Precipitation in April–June was nearly as predictive of yields as full growing season precipitation. While precipitation and air temperatures are tightly linked in this agroecosystem, temperatures were more predictive of yields than precipitation. Increases in minimum May temperatures positively affected yields, likely because of minimizing freeze damage, but did not offset detrimental effects of warmer daytime spring and summer temperatures. The largest negative temperature effects were caused by extreme maximum temperatures in June. No‐till with fallow maximized yields. Low‐ and high‐yielding varieties did not differ in yield responses to high temperatures, suggesting that future advancements in heat stress resistance will not necessarily require yield trade‐offs. Climate pressures will likely require producers to balance yield goals with maintaining soil cover, underscoring the difficulty of identifying win–win climate adaptations.
Using poultry litter for cotton phosphorus nutrition in Australia
Authors: Awale Rakesh , Hornbuckle John W. , Quayle Wendy C. 
Published: September 2022

AbstractIn the Riverina, NSW, Australia, abundant poultry litter (PL) could offer an alternative P nutrition source for irrigated cotton (Gossypium hirsutum L.). We assessed soil P availability, sequentially extracted P fractions, crop P uptake, and cotton yields using PL applications compared with mono‐ammonium phosphate (MAP) fertilizer in an alkaline Vertosol during the 2020–2021 season. Treatments were control, 150 kg MAP ha–1, 150 kg MAP ha–1 plus 4 Mg PL ha–1, and 4, 10, and 15 Mg PL ha–1. Crop P uptake (22–38 kg ha–1) at defoliation, seed P export (14–20 kg ha–1), P use efficiency (5.1–6.6 kg seed‐P Mg–1 lint), and lint yield (2,654–3,118 kg ha–1) were not different across treatments. Apparent recovery of P treatments was low (<15%). Across treatments, soil Colwell‐P (0.5 M NaHCO3) were invariably high (23–70 mg kg–1) during crop‐growing season and did not differ from planting to first‐flower. Residual inorganic‐P (conc‐HCl‐Pi + H2SO4‐H2O2‐Pi) declined by 12% with concurrent increases in labile NaHCO3‐Pi (4%) and organic‐P (dil‐HCl‐Po [4%] and conc‐HCl‐Po [3%]) over 18‐mo (from pre‐trial baseline sampling to defoliation) across treatments. At defoliation, the 15 Mg PL ha–1 treatment had lower soil pH and exchangeable sodium percentage and higher soil total C, moderately‐labile soil organic‐P (dil‐HCl‐Po), Colwell‐P, and extractable K than the control, MAP, or 4 Mg PL ha–1 treatments. Although P applications may not improve lint productivity because of inherent soil P release within a single cropping‐season, PL (15 Mg ha–1) may fully substitute for commercial MAP fertilizer for soil P maintenance and improving soil conditions in surface‐irrigated high‐yielding cotton in southeastern Australia.
Revised MALT‐IPI: A new predictive model that identifies high‐risk patients with extranodal marginal zone lymphoma
Authors: Alderuccio Juan Pablo , Reis Isildinha M. , Habermann Thomas M. , Link Brian K. , Thieblemont Catherine , Conconi Annarita , Larson Melissa C. , Cascione Luciano , Zhao Wei , Cerhan James R. , Zucca Emanuele , Lossos Izidore S. 
Published: September 2022

AbstractExtranodal marginal zone lymphoma (EMZL) is a heterogeneous disease with a subset of patients exhibiting a more aggressive course. We previously reported that EMZL with multiple mucosal sites (MMS) at diagnosis is characterized by shorter survival. To better recognize patients with different patterns of progression‐free survival (PFS) we developed and validated a new prognostic index primarily based on patient's disease characteristics. We derived the “Revised mucosa‐associated lymphoid tissue International Prognostic Index” (Revised MALT‐IPI) in a large data set (n = 397) by identifying candidate variables that showed highest prognostic association with PFS. The revised MALT‐IPI was validated in two independent cohorts, from the University of Iowa/Mayo Clinic (n = 297) and from IELSG‐19 study (n = 400). A stepwise Cox regression analysis yielded a model including four independent predictors of shorter PFS. Revised MALT‐IPI has scores ranging from 0 to 5, calculated as a sum of one point for each of the following‐ age >60 years, elevated LDH, and stage III–IV; and two points for MMS. In the training cohort, the Revised MALT‐IPI defined four risk groups: low risk (score 0, reference group), low‐medium risk (score 1, HR = 1.85, p = .008), medium‐high risk (score 2, HR = 3.84, p < .0001), and high risk (score 3+, HR = 8.48, p < .0001). Performance of the Revised MALT‐IPI was similar in external validation cohorts. Revised MALT‐IPI is a new index centered on disease characteristics that provides robust risk‐stratification identifying a group of patients characterized by earlier progression of disease. Revised MALT‐IPI can allow a more disease‐adjusted management of patients with EMZL in clinical trials and practice.
Evaluating the human capacity of carrying loads without costs: A scoping review of the Free‐Ride phenomenon
Authors: Prado‐Nóvoa Olalla , Rodríguez Jesús , Zorrilla‐Revilla Guillermo , Vidal‐Cordasco Marco , Mateos Ana 
Published: September 2022

AbstractObjectivesSeveral researchers have obtained discordant results testing the human capability to transport loads without added locomotion costs. Carrying loads has an extended relevance to human ecology, thus a review of the Free‐Ride phenomenon detection according to the existing literature is needed.MethodA search was made in November 2021 in SCOPUS, Google Scholar, and Web of Science to identify studies comparing the energy expenditure of loaded and unloaded locomotion. Descriptive percentages were calculated with the data obtained from each study, and a Chi‐squared (χ2) independency test and a contingency table were applied to observe the relationship between sample characteristics, experimental procedures, and the detection of the Free‐Ride.ResultsA total of 45 studies met the inclusion criteria. Eighty two percent do not detect the Free‐Ride phenomenon. The general detection is independent of sex, experience, load position, load size, and speed (p value >.05) although the papers detecting the Free‐Ride have some common characteristics.ConclusionThe literature does not support a Free‐Ride capacity, but future research testing this phenomenon should consider the load size, the load position, the level of expertise, or the speed. As the Free‐Ride is not generalizable, it can be hypothesized that other mechanisms may have emerged during human evolution to buffer the energetic demands of load carrying.
Within subject cross‐tissue analyzes of epigenetic clocks in substance use disorder postmortem brain and blood
Authors: Cabrera‐Mendoza Brenda , Stertz Laura , Najera Katherine , Selvaraj Sudhakar , Teixeira Antonio L. , Meyer Thomas D. , Fries Gabriel R. , Walss‐Bass Consuelo 
Published: September 2022

AbstractThere is a possible accelerated biological aging in patients with substance use disorders (SUD). The evaluation of epigenetic clocks, which are accurate estimators of biological aging based on DNA methylation changes, has been limited to blood tissue in patients with SUD. Consequently, the impact of biological aging in the brain of individuals with SUD remains unknown. In this study, we evaluated multiple epigenetic clocks (DNAmAge, DNAmAgeHannum, DNAmAgeSkinBlood, DNAmPhenoAge, DNAmGrimAge, and DNAmTL) in individuals with SUD (n = 42), including alcohol (n = 10), opioid (n = 19), and stimulant use disorder (n = 13), and controls (n = 10) in postmortem brain (prefrontal cortex) and blood tissue obtained from the same individuals. We found a higher DNAmPhenoAge (β = 0.191, p‐value = 0.0104) and a nominally lower DNAmTL (β = −0.149, p‐value = 0.0603) in blood from individuals with SUD compared to controls. SUD subgroup analysis showed a nominally lower brain DNAmTL in subjects with alcohol use disorder, compared to stimulant use disorder and controls (β = 0.0150, p‐value = 0.087). Cross‐tissue analyzes indicated a lower blood DNAmTL and a higher blood DNAmAge compared to their respective brain values in the SUD group. This study highlights the relevance of tissue specificity in biological aging studies and suggests that peripheral measures of epigenetic clocks in SUD may depend on the specific type of drug used.
Why must the debate continue on Krabbe disease newborn screening?
Authors: Pike‐Langenfeld Stacy 
Published: September 2022

AbstractSince the early 2000s, many families impacted by Krabbe disease have tried to implement newborn screening for this rare fatal neurological disorder in their home state. However, despite grassroots efforts, states have been unable to agree to newborn screening for Krabbe disease due to poor testing mechanisms, lack of understanding of the developmental outcomes of transplantation, low incidence rate, and more. Over the past five years, many organizations and experts have made significant strides to help Krabbe disease meet the eligibility requirements for state panels and the Recommended Uniform Screening Panel (RUSP). Nevertheless, ethicists and newborn screening advisory committees continue to disregard the progress our community has made in the treatment and screening of Krabbe disease.