bluuebunny/crossref_metadata_2025 huggingface dataset:
Antiferromagnetic Inverse Spin Hall Effect
Authors: Huang Lin , Zhou Yongjian , Qiu Hongsong , Bai Hua , Chen Chong , Yu Weichao , Liao Liyang , Guo Tingwen , Pan Feng , Jin Biaobing , Song Cheng
Published: September 2022

The inverse spin Hall effect (ISHE) is one of the accessible and reliable methods to detect spin current. The magnetization‐dependent inverse spin Hall effect has been observed in magnets, expanding the dimension for spin‐to‐charge conversion. However, antiferromagnetic Néel‐vector‐dependent ISHE, which has been long time highly pursued, is still elusive. Here, ISHE in Mn2Au/[Co/Pd] heterostructures is investigated by terahertz emission and spin Seebeck effect measurements, where [Co/Pd] possesses perpendicular magnetic anisotropy for out‐of‐plane polarized spin current generation and Mn2Au is a collinear antiferromagnet for the spin‐to‐charge conversion. The out‐of‐plane spin polarization (σz) is rotated toward in‐plane by the Néel vectors in Mn2Au, then the spin current is converted into charge current at two staggered spin sublattices. The ISHE signal is much stronger when the converted charge current is parallel to the Néel vector compared with its orthogonal counterpart. The Néel vector and resultant ISHE signals, which is termed as antiferromagnetic inverse spin Hall effect, can be switched. The finding not only adds a new member to the Hall effect family, but also makes antiferromagnetic spintronics more flexible.
Pivotal Routes for Maximizing Semitransparent Perovskite Solar Cell Performance: Photon Propagation Management and Carrier Kinetics Regulation
Authors: Wu Hangjuan , Cheng Yajie , Ma Junjie , Zhang Jiahao , Zhang Yiqiang , Song Yanlin , Peng Shou
Published: September 2022

Semitransparent perovskite solar cells (ST‐PSCs) are ideal candidates for building‐integrated photovoltaics (BIPV) and tandem solar cells (TSCs) owing to their tunable bandgap and high visible transparency. The best power conversion efficiency (PCE) of ST‐PSCs is close to 15% with an average visible transmittance of over 20%, which still lags far behind the PCE of normal opaque PSCs. This can be attributed to the poor light utilization efficiency (LUE) of ST‐PSCs. Herein, the pivotal routes for maximizing LUE of ST‐PSCs in terms of photon propagation management and carrier kinetics regulation are systematically rationalized. First, the fundamental theoretical analyses on optical processes and electronic properties are provided. Then, insights on photon propagation management measures and carrier kinetics regulation strategies are provided. Furthermore, a summary of the promising commercial application of ST‐PSCs in BIPV and TSCs is provided. Finally, the main progress of ST‐PSCs is briefly summarized, and the directions for the commercialization of ST‐PSCs are proposed.
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

Cation–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

The 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

Achieving 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

Internal 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.

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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

Coronavirus 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

Single 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

Quantifying 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

Copper‐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

Overcoming 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

Global 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

In 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

Extranodal 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

Objectives

Several 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.

Method

A 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.

Results

A 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.

Conclusion

The 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

There 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

Since 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.
α‐Aryl‐β,β‐Ditosyloxy Ketones as Versatile Precursors: Convenient, Direct, Metal‐free and Regioselective Synthesis of 4,5‐Diaryl/1,4,5‐Triaryl Pyrazoles
Authors: Kumar Ravinder , Kamal Raj , Kumar Vipan
Published: September 2022

The present study demonstrate the synthetic applications of α‐aryl‐β,β‐ditosyloxy ketones 3 as 1,3‐dielectrophilic three carbon atom versatile precursors to synthesize scarcely underexplored 4,5‐diaryl/1,4,5‐triaryl pyrazoles as small aza‐heterocycles. The exact regiochemistry around pyrazole nucleus has been confirmed by single crystal XRD analysis along with spectroscopic data (1H & 13C‐NMR, IR) and HRMS analysis. The single crystal‐XRD analysis exposed that, crystallization of 4,5‐diaryl pyrazoles 5 b in trigonal systems with R‐3 space group. The strategy was found advantageous especially owing to (i) operationally simplicity of procedure (ii) high regioselectivity (iii) less reaction timing (iv) versatile reactivity due to presence of two p‐toluenesulfonyloxyl groups which behaves as excellent leaving group as well as electron withdrawing group. Additionally, we conjectured that present methodology can broaden the aspects of synthetic chemistry in ongoing medicine chemistry programs for designing and synthesis of regioisomeric analogues of some well‐recognised drugs like celecoxib.
Myopia rates among Hadza hunter‐gatherers are low but not exceptional
Authors: Stibbard‐Hawkes Duncan N. E. , Apicella Coren L.
Published: September 2022

Objectives

Myopia rates are increasing globally. This epidemic is linked to increased school participation, decreased outdoor activity and the proliferation of near‐work occupations. The Tanzanian Hadza have traditionally subsisted as hunter‐gatherers. School participation has historically been low and near‐work otherwise minimal. Previous studies have reported exceptionally low myopia rates among hunter‐gatherers, though such studies are few. The present study aims to expand this dataset. We report Hadza myopia rates and compare them to those from other economic/subsistence niches. We look for temporal changes in eyesight, in line with changing Hadza subsistence. Further, we assess the impact two known myopia risk factors, gender and educational participation, on Hadza eyesight.

Materials and Methods

We measured visual acuity among 182 bush‐living Hadza aged 10–75 using a non‐Latin optotype. From these measures, we estimate age‐specific myopia prevalences.

Results

We find age‐specific myopia prevalences between 5% and 10% for individuals under 40, increasing thereafter. This is low compared to industrialized populations, although not atypical for rural and non‐industrialized populations. Unlike previous studies of hunter‐gatherers, myopia was not exceptionally rare. We find that Hadza men have better distance vision than Hadza women. Though the Hadza have experienced subsistence change, we find no statistical evidence of associated decreases in visual acuity between 2006 and 2013/14 after controlling for gender imbalances. Finally, we find no support for our prediction that schooling participation reduces visual acuity, though so few attended school (13 of 58) that this analysis lacked statistical power and probably represents a false negative.
Modeling and estimating kinetic parameters for CO2 methanation from fixed bed reactor experiments
Authors: Tsuboi Toshiki , Yasuda Shoya , Choi Cheolyong , Zhang Wei , Machida Hiroshi , Norinaga Koyo , Yajima Tomoyuki , Kawajiri Yoshiaki
Published: September 2022

CO2 methanation, which converts CO2 and hydrogen into methane as fuel, is one of the promising candidates for the development of CO2 utilization technologies. Recently, a highly active catalyst made of Ni/ZrO2 for methanation has been developed, and is currently investigated as a potential use in a high‐performance reactor. However, design of reactor must be carried out carefully, since this reaction is highly exothermic, which may cause reactor runaway and deterioration of catalysts. For this problem, a mathematical model that can predict the behavior inside the reactor is necessary. In this work, we consider the methanation reaction of CO2 in a reactor model and estimate the kinetic parameters in the reaction rate model from experimental data. In the parameter estimation using literature values and Tikhonov regularization, eight kinetic parameters in the rate equations were identified from 64 data points with a wide range of conditions. We confirm that molar fractions at the reactor exit predicted by this reactor model are in good agreement with the experimental results. Furthermore, the developed model was validated to predict the compositions and temperature that were not used in the estimation. We expect the developed model will be a powerful tool for the reactor design.
Association of Presynaptic Loss with Alzheimer's Disease and Cognitive Decline
Authors: Lan Guoyu , Cai Yue , Li Anqi , Liu Zhen , Ma Shaohua , Guo Tengfei ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: September 2022

Objective

Increased presynaptic dysfunction measured by cerebrospinal fluid (CSF) growth‐associated protein‐43 (GAP43) may be observed in Alzheimer's disease (AD), but how CSF GAP43 increases relate to AD‐core pathologies, neurodegeneration, and cognitive decline in AD requires further investigation.

Methods

We analyzed 731 older adults with baseline β‐amyloid (Aβ) positron emission tomography (PET), CSF GAP43, CSF phosphorylated tau181 (p‐Tau181), and 18F‐fluorodeoxyglucose PET, and longitudinal residual hippocampal volume and cognitive assessments. Among them, 377 individuals had longitudinal 18F‐fluorodeoxyglucose PET, and 326 individuals had simultaneous longitudinal CSF GAP43, Aβ PET, and CSF p‐Tau181 data. We compared baseline and slopes of CSF GAP43 among different stages of AD, as well as their associations with Aβ PET, CSF p‐Tau181, residual hippocampal volume, 18F‐fluorodeoxyglucose PET, and cognition cross‐sectionally and longitudinally.

Results

Regardless of Aβ positivity and clinical diagnosis, CSF p‐Tau181‐positive individuals showed higher CSF GAP43 concentrations (p < 0.001) and faster rates of CSF GAP43 increases (p < 0.001) compared with the CSF p‐Tau181‐negative individuals. Moreover, higher CSF GAP43 concentrations and faster rates of CSF GAP43 increases were strongly related to CSF p‐Tau181 independent of Aβ PET. They were related to more rapid hippocampal atrophy, hypometabolism, and cognitive decline (p < 0.001), and predicted the progression from MCI to dementia (area under the curve for baseline 0.704; area under the curve for slope 0.717) over a median 4 years of follow up.

Interpretation

Tau aggregations rather than Aβ plaques primarily drive presynaptic dysfunction measured by CSF GAP43, which may lead to sequential neurodegeneration and cognitive impairment in AD or neurodegenerative diseases. ANN NEUROL 2022;92:1001–1015
Nonlinear Wave Molecules for the Lakshmanan–Porsezian–Daniel Equation in Nonlinear Optics and Biology
Authors: Zhou Shuo , Wang Lei , Zhao Jun‐Fei , Sun Wen‐Rong
Published: September 2022

The nonlinear wave molecules of the Lakshmanan–Porsezian–Daniel (LPD) equation describing the propagation of ultrashort optical pulses through optical fibers and Davydov soliton in α‐helical proteins are investigated. Based on the analysis of characteristic lines, the breather molecules consisting of two, three, or even four different breather atoms are derived, and the synthesis modes of molecules by adjusting the values of the phase parameters are generated. The state conversion of the breather molecules is studied and a variety of converted wave molecules are produced. In particular, it is reported that the full conversion of the breather molecules does not exist in the LPD equation. The formation mechanisms of different types of nonlinear wave molecules through the nonlinear superposition are further explored and the influence of higher‐order effects on the breather molecules is discussed. Finally, the intricate interactions between the molecules and nonlinear waves are considered. It is found that the distances between atoms in the molecules as well as the shapes of the converted waves change after the interactions, and the essence of such shape‐changed interactions is revealed.
Tunable Mode Entanglement: Topological Su–Schrieffer–Heeger (SSH) Chain with an Embedded Aharonov–Bohm Quantum Ring
Authors: Garrido Alejandro Patricio , Plastino Ángel Ricardo , de Guevara María Loreto Ladrón , Apel Víctor Marcelo
Published: September 2022

A variant of the SSH model consisting of an SSH chain with an embedded Aharonov–Bohm quantum ring is investigated. The embedded ring gives rise to domain wall states whose energy levels are in the band gap. The dependence of some of the states on the ring's magnetic flux provides a mechanism to control the entanglement between the two SSH edge fermion modes. The concurrence between the edge modes depends periodically on the magnetic flux. In the deep topological zone, for appropriate values of the flux, the concurrence reaches the extreme values of 0 and 1, corresponding to vanishing entanglement and to maximum entanglement. Therefore, the QR‐SSH system offers a tuning mechanism that can be used either as an entanglement modulator or as an entanglement switch.
Highly Efficient and Selective Recognition of Dicyanoaurate(I) by a Bambusuril Macrocycle in Water
Authors: Rando Carola , Vázquez Julián , Sokolov Jan , Kokan Zoran , Nečas Marek , Šindelář Vladimír
Published: September 2022

Dicyanoaurate(I) anion, [Au(CN)2]−, plays a central role in the current industrial production of gold, as its extraction from crude ore samples represents the most money‐consuming step. Herein, we present the strongest host–guest recognition of dicyanoaurate anion using the bambusuril receptor in water, a highly competitive solvent. The micromolar stability of such a complex facilitated the up to date most efficient supramolecular stripping of dicyanoaurate from activated carbon at ambient temperature. Thermodynamic characteristics of bambusuril binding with [Au(CN)2]− differing from binding of other inorganic chaotropic anions are rationalized, as well as the bambusuril selectivity for [Au(CN)2]− over [Ag(CN)2]−.
One and Two‐Photon Excited Fluorescence Optimization of Metal–Organic Frameworks with Symmetry‐Reduced AIEgen‐Ligand
Authors: Wang Shi‐Cheng , Zhang Qiang‐Sheng , Wang Zheng , Zheng Lin , Zhang Xiao‐Dong , Fan Ya‐Nan , Fu Peng‐Yan , Xiong Xiao‐Hong , Pan Mei
Published: September 2022

By designing a tetraphenylethylene (TPE)‐based AIEgen‐ligand with reduced symmetry, we obtained two alkaline‐earth metal‐based MOFs (LIFM‐102 and LIFM‐103) with dense packing structures and low porosity as proved by single‐crystal X‐ray diffraction and CO2 sorption data. Excitingly, the desolvated MOFs with rigid environment and reduced lattice free solvent exhibit high quantum yields (QY, 64.9 % and 79.4 %) and excellent two‐photon excited photoluminescence (TPA cross‐sections, 2946.6 GM and 2899.0 GM), while maintaining the external‐stimuli‐responsive properties suitable for anticounterfeit fields. The effect of ligand conformation was validated by comparing the structure and fluorescence properties of the samples before and after desolvation and further verified by theoretical calculations. This work expands the study on TPE‐cored materials to symmetry‐reduced ligand and might bring forward novel structures and excellent photoluminescent properties in the future.
Ultrasmall Copper Nanoclusters in Zirconium Metal‐Organic Frameworks for the Photoreduction of CO2
Authors: Dai Shan , Kajiwara Takashi , Ikeda Miyuki , Romero‐Muñiz Ignacio , Patriarche Gilles , Platero‐Prats Ana E. , Vimont Alexandre , Daturi Marco , Tissot Antoine , Xu Qiang , Serre Christian
Published: September 2022

Encapsulating ultrasmall Cu nanoparticles inside Zr‐MOFs to form core–shell architecture is very challenging but of interest for CO2reduction. We report for the first time the incorporation of ultrasmall Cu NCs into a series of benchmark Zr‐MOFs, without Cu NCs aggregation, via a scalable room temperature fabrication approach. The Cu NCs@MOFs core–shell composites show much enhanced reactivity in comparison to the Cu NCs confined in the pore of MOFs, regardless of their very similar intrinsic properties at the atomic level. Moreover, introducing polar groups on the MOF structure can further improve both the catalytic reactivity and selectivity. Mechanistic investigation reveals that the CuIsites located at the interface between Cu NCs and support serve as the active sites and efficiently catalyze CO2photoreduction. This synergetic effect may pave the way for the design of low‐cost and efficient catalysts for CO2photoreduction into high‐value chemical feedstock.
Surface Diffusion Aided by a Chirality Change of Self‐Assembled Oligomers under 2D Confinement
Authors: Bera Abhijit , Henkel Stefan , Mieres‐Perez Joel , Andargie Tsegaw Yetsedaw , Sanchez‐Garcia Elsa , Sander Wolfram , Morgenstern Karina
Published: September 2022

Chirality switching of self‐assembled molecular structures is of potential interest for designing functional materials but is restricted by the strong interaction between the embedded molecules. Here, we report on an unusual approach based on reversible chirality changes of self‐assembled oligomers using variable‐temperature scanning tunneling microscopy supported by quantum mechanical calculations. Six functionalized diazomethanes each self‐assemble into chiral wheel‐shaped oligomers on Ag(111). At 130 K, a temperature far lower than expected, the oligomers change their chirality even though the molecules reside in an embedded self‐assembled structure. Each chirality change is accompanied by a slight center‐of‐mass shift. We show how the identical activation energies of the two processes result from the interplay of the chirality change with surface diffusion, findings that open the possibility of implementing various functional materials from self‐assembled supramolecular structures.
Schottky type photodiodes with organic Co‐complex and Cd‐complex interlayers
Authors: Kocyigit Adem , Hussaini Ali Akbar , Yıldırım Murat , Kose Dursun Ali , Yıldız Dilber Esra
Published: September 2022

Cd and Co metal centered nicotinamide/nicotinic acid complexes were synthesized by chemical reactions. The complexes were characterized by thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT‐IR), powder X‐ray diffractometer (P‐XRD), ultraviolet–visible (UV–Vis) spectrometer, and scanning electron microscopy (SEM) with energy dispersive X‐ray (EDX) detector. The complexes were used as interfacial layers in between Al and p‐Si to fabricate Al/Cd‐complex/p‐Si and Al/Co‐complex/p‐Si metal semiconductor devices. The devices were characterized by current–voltage (I‐V) and current‐time (I‐t) measurements under dark and various light power intensities. The ideality factor, barrier height, and series resistance values were extracted from I‐V measurements and discussed in detail by various techniques. The I‐t measurements were used to derive various detector parameters such as responsivity, photosensitivity, and specific detectivity for various power values and wavelength regions. The devices exhibited good photodiode and photodetector performance according to results, and they can be improved for optoelectronic applications.
Pedagogy of teaching with large datasets: Designing and implementing effective data‐based activities
Authors: O'Reilly Catherine M. , Josek Tanya , Darner Rebekka D. , Fortner Sarah K.
Published: September 2022

Integrating the use of large datasets into our teaching provides critical and unique opportunities to build students' skills and conceptual knowledge. Here, we discuss the core components needed to develop effective activities based on large datasets, which align with the 5E learning cycle. Data‐based activities should be structured around a relevant question, use authentic publicly accessible data, be scaffolded to include choice, and involve discussion of the results. It is important that the software that is used to manipulate, analyze and/or visualize the data is accessible for students. There are a range of strategies to reduce the barriers of working with large datasets through pre‐organizing and pre‐scripting code for analyses, using online cloud‐based versions of software, and reducing opportunities for error in syntax. Resources exist for learning open‐source software (e.g., Data Carpentry) as well as for support and professional development in teaching with large datasets (Project EDDIE).
Hackathons as extracurricular activities: Unraveling the motivational orientation behind student participation
Authors: Garcia Manuel B.
Published: September 2022

The education sector is constantly progressing its competency paradigm by establishing a nexus between practical, theoretical, and technical dimensions of teaching and learning. In the modern age of education, hackathons are becoming increasingly prominent in providing an optimal academic environment that connects classroom learnings to real‐life scenarios. This study explored the motivational orientation behind student participation in hackathons through the framework provided by self‐determination theory. Specifically, it investigated the role of intrinsic and extrinsic motivations in encouraging initial and continuous hackathon participation. The partial least squares‐structural equation modeling method was used to analyze data collected from 437 students in 12 countries. According to the findings, although intrinsic motivation influences participation intention, extrinsic motivation drives continuance participation. When intrinsic and extrinsic motivational constructs were analyzed individually, it was found that continuance participation demands both motivational orientations. Comparisons of demographic characteristics indicate that older students with more extensive educational experience may have higher intentions to participate and continue participating in these events. This study offers insights into how the education sector can increase hackathon participation by tapping on students’ motivational orientation. From a methodological point of view, it is apparent to recommend the promotion of hackathons as a core extracurricular activity at a school level, and more indispensably, as pedagogy at a classroom level. In a world where students are encouraged to fail early, fast, and often, participating in hackathons is a tactical preparation for eventual success.
TNFAIP3 mutation is an independent poor overall survival factor for patients with T‐cell acute lymphoblastic leukemia
Authors: Chen Cunte , Zhou Lingling , Zhu Lihua , Luo Gengxin , Wang Liang , Zeng Chengwu , Zhou Hongsheng , Li Yangqiu
Published: September 2022

Background

It is imperative to explore potential biomarkers for predicting clinical outcome and developing targeted therapies for T‐cell acute lymphoblastic leukemia (T‐ALL). This study aimed to investigate the mutation patterns of tumor necrosis factor‐alpha‐inducing protein 3 (TNFAIP3, also known as A20) and its role in the prognosis of T‐ALL patients.

Methods

Polymerase chain reaction (PCR) and Sanger sequencing data from T‐ALL (n = 49, JNU) and targeted sequencing data from T‐ALL (n = 54, NFH) in our clinical center and a publicly available dataset (n = 121, PRJCA002270), were used to detect TNFAIP3 mutation.

Results

Three TNFAIP3 single nucleotide polymorphisms (SNPs; g.3033 C > T, g.3910 G > A, and g.3904 A > G) were detected in T‐ALL in the JNU dataset, and g.3033 C > T accounted for the highest proportion, reaching 60% (6/10). Interestingly, TNFAIP3 mutation mainly occurred in adults but not pediatric patients in all three datasets (JNU, NFH, and PRJCA002270). T‐ALL patients carrying a TNFAIP3 mutation were associated with a trend of poor overall survival (OS) (p = 0.092). Moreover, TNFAIP3 mutation was also an independent factor for OS for T‐ALL patients (p = 0.008). Further subgroup analysis suggested that TNFAIP3 mutation predicted poor OS for T‐ALL patients who underwent chemotherapy only (p < 0.001), and it was positively correlated with high risk and early T‐cell precursor ALL (ETP‐ALL) in two independent validation datasets (NFH and PRJCA002270).

Conclusion

TNFAIP3 mutation mainly occurs in adult T‐ALL patients, and it was associated with adverse clinical outcomes for T‐ALL patients; thus, it might be a biomarker for prognostic stratification.
A case of COVID‐19‐associated fulminant myocarditis successfully treated with mechanical circulatory support
Authors: Asakura Ryosuke , Kuroshima Tatsuki , Kokita Naohiro , Okada Motoi
Published: September 2022

A 49‐year‐old man, who had not been vaccinated against COVID‐19 visited the hospital for fever and cough, and a PCR test for COVID‐19 was positive on the Day X. Initially, there was no decrease in oxygen saturation and the patient was under observation as a mild case without medication. Five days after the onset (Day X + 5), chest pain appeared. Electrocardiogram showed widespread ST‐segment elevation, and blood tests showed high levels of troponin I. However, given that there was no stenotic lesion on coronary computed tomography, myocarditis was suspected, and he was transferred to our hospital on the Day X + 6. We started treatment with lemdesivir and dexamethasone. On the Day X + 7, the patient developed decreased left ventricular ejection fraction, hypotension, and hyperlactatemia. We decided that mechanical circulatory support was necessary and an Impella 5.0 was inserted under ventilator management. The patient was successfully weaned from the Impella 5.0 on the Day X + 17, was transferred to the general ward on the Day X + 24, continued rehabilitation, and was discharged home on the Day X + 39 with no heart failure symptoms. In this case, we performed daily bedside echocardiography and chose the Impella 5.0 instead of extra corporeal membrane oxygenation (ECMO) because there were no findings of severe pneumonia or right heart failure. The Impella 5.0 device was inserted via an axillary artery approach, given that it provides more assisted flow than the Impella CP inserted through the inguinal route. Furthermore, early rehabilitation was possible due to the lack of restriction of the lower body.