bluuebunny/crossref_metadata_2025 huggingface dataset:
Chiral Zn‐Based Organic‐Inorganic Hybrid Ferroelectrics with Large Polarization and Luminescence
Authors: Wu Yuying , Jiang Haidong , Jiao Shulin , Li Dong , Gao Zhangran , Niu Ben , Wu Di , Chen Shuang , Cai Hong‐Ling , Wu Xiaoshan
Published: December 2021

Multi‐functionalized lead‐free organic‐inorganic hybrid ferroelectrics have recently realized diverse applications especially for optoelectronics and photovoltaics. Herein, the chiral Zn‐based organic−inorganic hybrids are discovered: [(R)‐(−)‐2‐methylpiperazine‐1,4‐diium][Zn(H2O)6]•(SO4)2 (RMPZnS2, space group P21) and [(S)‐(+)‐2‐methylpiperazine‐1,4‐diium]2[Zn(H2O)6]•(SO4)3 (SMP2ZnS3, space group P21212). Through experimental and computational investigations, it is found that RMPZnS2 is a ferroelectric with considerable large polarization value (P ≈ 9.5 µC cm−2) along b–axis, and its ferroelectric‐paraelectric phase transition is switched by rotation of organic cations. Meanwhile, it also possesses a fascinating photovoltaic effect driven by the polar charges at solar‐blind UV region, endowing it with the potential of self‐driven photodetection. In addition, white‐light emissions of the RMPZnS2 and SMP2ZnS3 are observed. The enhanced luminescence by heating is especially suitable for the application in white light‐emitting diodes. Overall, these chiral emission ferroelectrics at the supramolecular level will largely expand their applications in multidisciplinary fields.
General Background of SERS Sensing and Perspectives on Polymer‐Supported Plasmon‐Active Multiscale and Hierarchical Sensor Particles
Authors: Visaveliya Nikunjkumar R. , Mazetyte‐Stasinskiene Raminta , Köhler Johann Michael
Published: December 2021

Surface‐enhanced Raman scattering (SERS) is one of the most powerful analytical techniques for the identification of molecules. The substrate, on which SERS is dependent, contains regions of nanoscale gaps (hotspots) that hold the ability to concentrate incident electromagnetic fields and effectively amplify vibrational scattering signals of adsorbed analytes. While surface plasmon resonance from metal nanostructures is a central focus for the SERS effect, the support of polymers can be significantly advantageous to provide larger exposure of structured metal surfaces for efficient interactions with analytes. Characteristics of the polymer particles such as softness, flexibility, swellability, porosity, optical transparency, metal‐loading ability, and high surface area can allow diffusion of analytes and penetrating light deeply that can enormously amplify sensing outcomes. As polymer‐supported plasmon‐active sensor particles can emerge as versatile SERS substrates, the microfluidic platform is promising for the generation of sensor particles as well as for performing sequential SERS analysis of multiple analytes. Therefore, in this perspective article, the development of multifunctional polymer–metal composite particles, and their applications as potential sensors for SERS sensing through microfluidics are presented. A detailed background from the beginning of the SERS field and perspectives for the multifunctional sensor particles for efficient SERS sensing are provided.
A geometric morphometric approach to investigate primate proximal phalanx diaphysis shape
Authors: Wennemann Sophie E. , Lewton Kristi L. , Orr Caley M. , Almécija Sergio , Tocheri Matthew W. , Jungers William L. , Patel Biren A.
Published: December 2021

Current approaches to quantify phalangeal curvature assume that the long axis of the bone's diaphysis approximates the shape of a portion of a circle (included angle method) or a parabola (second‐degree polynomial method). Here we developed, tested, and employed an alternative geometric morphometrics‐based (GM) approach to quantify diaphysis shape of proximal phalanges in humans, apes and monkeys with diverse locomotor behaviors. One hundred landmarks of the central longitudinal axis were extracted from 3D surface models and analyzed using 2DGM methods, including generalized Procrustes analyses. Principal components analyses were performed and PC1 scores (>80% of variation) represented the dorsopalmar shape of the bone's central longitudinal axis and separated taxa consistently and in accord with known locomotor behavioral profiles. The most suspensory taxa, including orangutans, hylobatids and spider monkeys, had significantly lower PC1 scores reflecting the greatest amounts of phalangeal curvature. In contrast, bipedal humans and the quadrupedal cercopithecoid monkeys sampled (baboons, proboscis monkeys) exhibited significantly higher PC1 scores reflecting flatter phalanges. African ape (gorillas, chimpanzees and bonobos) phalanges fell between these two extremes and were not significantly different from each other. PC1 scores were significantly correlated with both included angle and the a coefficient of a second‐degree polynomial calculated from the same landmark dataset, but had a significantly higher correlation with included angles. Our alternative approach for quantifying diaphysis shape of proximal phalanges to investigate dorsopalmar curvature is replicable and does not assume a priori either a circle or parabola model of shape, making it an attractive alternative compared with existing methodologies.
High‐Harmonic Generation from 2D Monolayer Electrides
Authors: An Jong‐Kwan , Kim Kwang‐Hyon , Choe Myong‐Il
Published: December 2021

This work reports high‐harmonic generation (HHG) from 2D monolayer electrides investigated by using ab‐initio approach based on time‐dependent density functional theory, mainly focusing on monolayer Mg2N. Due to low ionization energy and wide potential well, they exhibit distinctively high HHG efficiency and high cutoff energy for out‐of‐plane pumping, although they also show atomic‐like behavior. For out‐of‐plane pumping with a peak intensity of 40 TW cm−2 at 1550 nm, high harmonics up to 120th order are generated with efficiency 4 orders‐of‐magnitude higher than monolayer h‐BN. For pump intensity below the direct above‐threshold ionization (ATI) regime, the tunneling from the ground state and ATI from one‐ or two‐photon resonant state simultaneously contribute to HHG. In the other subnitride monolayers of alkaline earth with larger atomic sizes (Ca2N and Sr2N), further higher harmonic generation efficiencies are obtained due to the lower work functions and wider potential wells. For in‐plane pumping, the intraband transition is the major source of the HHG due to the metallic in‐plane responses. The presented results will attract great attention due to the peculiar HHG signature from fundamental aspects and pave the way of obtaining coherent extreme ultraviolet (EUV)/soft‐X‐ray with high efficiency by using monolayer electrides.
Controlling Chemoselectivity of Catalytic Hydroboration with Light
Authors: Bergamaschi Enrico , Lunic Danijela , McLean Liam A. , Hohenadel Melissa , Chen Yi‐Kai , Teskey Christopher J.
Published: December 2021

The ability to selectively react one functional group in the presence of another underpins efficient reaction sequences. Despite many designer catalytic systems being reported for hydroboration reactions, which allow introduction of a functional handle for cross‐coupling or act as mild method for reducing polar functionality, these platforms rarely deal with more complex systems where multiple potentially reactive sites exist. Here we demonstrate, for the first time, the ability to use light to distinguish between ketones and carboxylic acids in more complex molecules. By taking advantage of different activation modes, a single catalytic system can be used for hydroboration, with the chemoselectivity dictated only by the presence or absence of visible light.
Hindered Tetraphenylethylene Helicates: Chiral Fluorophores with Deep‐Blue Emission, Multiple‐Color CPL, and Chiral Recognition Ability
Authors: Hu Ming , Ye Feng‐Ying , Du Cong , Wang Weizhou , Yu Wei , Liu Minghua , Zheng Yan‐Song
Published: December 2021

New hindered tetraphenylethylene (TPE) helicates with substitution at 2,6‐position of phenyl rings were designed and synthesized. Due to the increased hindrance, the TPE helicates emit strong deep‐blue to violet fluorescence both in the solid state and in solution, and could be resolved into enantiomers that emit strong and multicolor circularly polarized luminescence (CPL), and exhibit a high enantioselective recognition of chiral tartaric acid and its derivatives. Surprisingly, the derived helicate tetramines possess amino groups with an unpredented planar structure and sp2‐hybridized nitrogen, arousing the change between AIE effect and ACQ phenomenon through photoinduced electron transfer (PET). With advantages of short synthetic route, many modification positions, deep‐blue to violet emission, wide CPL tuning, and high chiral recognition ability, the hindered TPE helicates show broad prospects as chiral materials.
Thermo‐ and Mechanochromic Camouflage and Self‐Healing in Biomimetic Soft Actuators Based on Liquid Crystal Elastomers
Authors: Liu Zhongcheng , Bisoyi Hari Krishna , Huang Yinliang , Wang Meng , Yang Hong , Li Quan
Published: December 2021

In nature, many mysterious creatures capable of deformation camouflage, color camouflage, and self‐healing have inspired scientists to develop various biomimetic soft robots. However, the systematic integration of all the above functionalities into a single soft actuator system still remains a challenge. Here we chemically introduce a multi‐stimuli‐responsive tetraarylsuccinonitrile (TASN) chromophore into a liquid crystal elastomer (LCE) network through a facile thiol‐ene photoaddition method. The obtained TASN‐LCE soft actuators not only exhibit reversible shape‐morphing and reversible color‐changing behavior in response to heat and mechanical compression, but also show excellent self‐healing, reprogramming and recycling characteristics. We hope that such a TASN‐LCE actuator system endowed with dynamic distortion, thermo‐ and mechano‐chromic camouflage, and self‐healing functionalities would pave the way for further development of multifunctional biomimetic soft robotic devices.
Nitrogen Atom Transfer Catalysis by Metallonitrene C−H Insertion: Photocatalytic Amidation of Aldehydes
Authors: Schmidt‐Räntsch Till , Verplancke Hendrik , Lienert Jonas N. , Demeshko Serhiy , Otte Matthias , Van Trieste Gerard P. , Reid Kaleb A. , Reibenspies Joseph H. , Powers David C. , Holthausen Max C. , Schneider Sven
Published: December 2021

C−H amination and amidation by catalytic nitrene transfer are well‐established and typically proceed via electrophilic attack of nitrenoid intermediates. In contrast, the insertion of (formal) terminal nitride ligands into C−H bonds is much less developed and catalytic nitrogen atom transfer remains unknown. We here report the synthesis of a formal terminal nitride complex of palladium. Photocrystallographic, magnetic, and computational characterization support the assignment as an authentic metallonitrene (Pd−N) with a diradical nitrogen ligand that is singly bonded to PdII. Despite the subvalent nitrene character, selective C−H insertion with aldehydes follows nucleophilic selectivity. Transamidation of the benzamide product is enabled by reaction with N3SiMe3. Based on these results, a photocatalytic protocol for aldehyde C−H trimethylsilylamidation was developed that exhibits inverted, nucleophilic selectivity as compared to typical nitrene transfer catalysis. This first example of catalytic C−H nitrogen atom transfer offers facile access to primary amides after deprotection.
Novel styrax liquidus loaded chitosan/polyvinyl alcohol cryogels with antioxidant and antimicrobial properties
Authors: Demir Didem , Özdemir Sadin , Gonca Serpil , Bölgen Nimet
Published: December 2021

In this study, a novel cryogel scaffold loaded with styrax liquidus gum exuded from trank of Anatolian sweetgum (Liquidambar orientalis Mill.), with antimicrobial and antioxidant properties was developed for potential tissue engineering applications. For this purpose, different ratios of styrax incorporated chitosan/polyvinyl alcohol composite scaffolds were fabricated using cryotropic gelation method. The effect of styrax incorporation onto the cryogel network was evaluated using morphological and physico‐chemical analyzes. The characterized cryogels were also investigated in detail for their antioxidant activity, anti‐biofilm, antimicrobial, and DNA cleavage properties. The styrax incorporated cryogels can be candidate biomaterials for tissue engineering applications, in particular for antimicrobial systems due to their ferrous ion chelating activity and high antioxidant, anti‐biofilm, and antimicrobial properties.
Azepine‐ or Oxepine‐embedded Double Saddle‐Helix Nanographenes
Authors: Li Ranran , Ma Bin , He Run‐Ying , Zhang Bin , Zhang Yi‐Kang , Feng Shi‐Yu , An Peng
Published: December 2021

The azepine‐ and oxepine‐embedded polycyclic aromatic hydrocarbons (PAH) 1–3, as the hexa‐peri‐hexabenzocoronene (HBC)‐based nanographenes (NG) were designed and synthesized by Diels‐Alder reaction of cyclic alkene with tetrachlorothiophene‐S,S‐dioxide, followed by Suzuki‐Miyaura cross‐coupling and Scholl‐type cyclodehydrogenation. Due to the strained seven‐membered ring and the inherent structural pattern, heteroatom‐doped NGs 1–3 show Cs symmetrical, double saddle‐helix hybrid conformation, which represents a new shape for HBC based nanographenes. The calculation studies reveal the low aromaticity of the 8π heterocycles themselves and the heterocycles also decrease the electron delocalization of benzenes surrounding them. Dynamics‐based calculation suggests the Cs symmetry would maintain druing the saddle‐inversion process. Meanwhile, we show property perturbation by doping with different heteroatoms.
Immune‐relatedlncRNAs can predict the prognosis of acute myeloid leukemia
Authors: Li Ran , Wu Shishuang , Wu Xiaolu , Zhao Ping , Li Jingyi , Xue Kai , Li Junmin
Published: December 2021

The immune microenvironment in acute myeloid leukemia (AML) is closely related to patients’ prognosis. Long noncoding RNAs (lncRNAs) are emerging as key regulators in immune systems. In this study, we established a prognostic model using an immune‐related lncRNA (IRL) signature to predict AML patients’ overall survival (OS) through Least Absolute Shrinkage and Selection Operator (LASSO) and multivariate Cox regression analysis. Kaplan‐Meier analysis, receiver operating characteristic (ROC) analysis, univariate Cox regression, and multivariate Cox regression analyses further illustrated the reliability of our prognostic model. An IRL signature‐based nomogram consisting of other clinical features efficiently predicted the OS of AML patients. The incorporation of the IRL signature improved the ELN2017 risk stratification system's prognostic accuracy. In addition, we found that monocytes and metabolism‐related pathways may play a role in AML progression. Overall, the IRL signature appears as a novel effective model for evaluating the OS of AML patients and may be implemented to contribute to the prolonged OS in AML patients.
Major Chemical Compounds and Mineral Elements of Astragalus membranaceus Cultivated on the Qinghai‐Tibet Plateau with Different Planting Densities
Authors: Wang Lingling , Xiong Feng , Yang Lucun , Wang Bo , Zhou Guoying
Published: December 2021

Astragalus membranaceus is a well‐known herb that is widely used in the food and pharmaceutical industries. However, its commercial development has been limited due to wild resource shortages. This study was conducted in 2018 and 2019 to assess the effect of planting density on the major chemical compounds and mineral elements and biomass yield of A. membranaceus. The biomass yield (7,700.956 kg) reached the maximum at M2 planting density in 2018. In 2019, astragaloside IV reached its maximum concentration (0.117 %) at M2 group, which was significantly different from the concentrations obtained at the other groups. Calycosin‐7‐O‐β‐D‐glucoside (0.062 %) reach its maximum concentration in 2019 at M5, but not significant with M2. The concentration of major chemical compounds among the five groups in 2018 and 2019 all conformed to the Chinese Pharmacopoeia standards. In 2018, the mineral elements (Al, Ba, Fe, Li and Mn) content was higher at M2 than other groups. However, a general decrease in the mineral elements content was observed at M2 group in 2019. Enrichment analysis demonstrated that the enrichment capacity was highest for phosphorus. In conclusion, according to the TOPSIS results, M2 planting density was recommended as the optimal application. For optimal economic benefits, A. membranaceus should be harvested when it is 2 years old.
Aluminum‐based Metal‐Organic Framework as Water‐tolerant Lewis Acid Catalyst for Selective Dihydroxyacetone Isomerization to Lactic Acid
Authors: Rahaman Mohammad Shahinur , Tulaphol Sarttrawut , Mills Kyle , Molley Ashten , Hossain Md Anwar , Lalvani Shashi , Maihom Thana , Crocker Mark , Sathitsuksanoh Noppadon
Published: December 2021

Lactic acid is a renewable and versatile chemical for food, pharmaceuticals, cosmetics, and other chemicals. Lactic acid can be produced from biomass‐derived dihydroxyacetone. However, selective and recyclable water‐tolerant acid catalysts need to be developed for the specific production of lactic acid. Here we show that the MIL‐101(Al)−NH2 metal‐organic framework (MOF) is a water‐tolerant and selective solid Lewis acid catalyst for dihydroxyacetone isomerization to lactic acid. The Lewis acidic MIL‐101(Al)−NH2 catalyst promoted a high lactic acid selectivity of 91 % at 96 % dihydroxyacetone conversion at 120 °C in water. The reaction proceeded by temperature and/or MIL‐101(Al)−NH2 MOFs mediated dihydroxyacetone dehydration to pyruvaldehyde. Subsequently, the MIL‐101(Al)−NH2 facilitated rehydration of the pyruvaldehyde to lactic acid. The Lewis acidic MIL‐101(Al)−NH2 catalyst was stable and reusable four times without any decrease in catalytic performance.
Multifunctional Compound‐Regulated SnO2 for High‐Efficiency and Stable Perovskite Solar Cells under Ambient Air
Authors: Qiu Linlin , Chen Liang , Chen Wei‐Hsiang , Yuan Yongfeng , Song Lixin , Mei Deqiang , Bai Bing , Xie Fuqiang , Du Pingfan , Xiong Jie
Published: December 2021

Perovskite solar cells (PSCs) fabricated with a low‐temperature (≤150 °C) SnO2‐based electron transport layer (ETL) have been rapidly developing and demonstrate high power conversion efficiency (PCE). To further enhance the efficiency and stability of PSCs, high‐quality perovskite and SnO2 films are needed, and the interfacial performance between the SnO2 ETL and the perovskite layer needs to be improved. In this work, potassium p‐aminobenzoate (KPAB) was introduced to regulate the SnO2 ETL to obtain reduced defects and an excellent wetting property, inducing vertically aligned crystal growth of the perovskites on the interface side of the SnO2 ETL. In addition, the potassium ions were able to interact with the halogen ions of the perovskite, which further enhanced the quality of the perovskite film. Due to the abovementioned strengths of KPAB, we demonstrated that devices based on KPAB‐SnO2 have a higher power conversion efficiency (19.03 %), better reproducibility, and superior operational stability compared to devices with pristine SnO2.
Economic variable selection
Authors: Miyawaki Koji , MacEachern Steven N.
Published: December 2021

Regression plays a central role in the discipline of statistics and is the primary analytic technique in many research areas. Variable selection is a classical and major problem for regression. This article emphasizes the economic aspect of variable selection. The problem is formulated in terms of the cost of predictors to be purchased for future use: only the subset of covariates used in the model will need to be purchased. This leads to a decision‐theoretic formulation of the variable selection problems, which includes the cost of predictors as well as their effect. We adopt a Bayesian perspective and propose two approaches to address uncertainty about the model and model parameters. These approaches, termed the restricted and extended approaches, lead us to rethink model averaging. From an objective or robust Bayes point of view, the former is preferred. The proposed method is applied to three popular datasets for illustration.
5’‐Phosphorylation Increases the Efficacy of Nucleoside Inhibitors of the DNA Repair Enzyme SNM1A
Authors: Berney Mark , Manoj Manav T , Fay Ellen M. , McGouran Joanna F.
Published: December 2021

Certain cancers exhibit upregulation of DNA interstrand crosslink repair pathways, which contributes to resistance to crosslinking chemotherapy drugs and poor prognoses. Inhibition of enzymes implicated in interstrand crosslink repair is therefore a promising strategy for improving the efficacy of cancer treatment. One such target enzyme is SNM1A, a zinc co‐ordinating 5’–3’ exonuclease. Previous studies have demonstrated the feasibility of inhibiting SNM1A using modified nucleosides appended with zinc‐binding groups. In this work, we sought to develop more effective SNM1A inhibitors by exploiting interactions with the phosphate‐binding pocket adjacent to the enzyme's active site, in addition to the catalytic zinc ions. A series of nucleoside derivatives bearing phosphate moieties at the 5’‐position, as well as zinc‐binding groups at the 3’‐position, were prepared and tested in gel‐electrophoresis and real‐time fluorescence assays. As well as investigating novel zinc‐binding groups, we found that incorporation of a 5’‐phosphate dramatically increased the potency of the inhibitors.
Amino‐Modified Poly (l–lactic Acid) Nanofibers Enable pH‐Stimulated Drug Release and NIR Real‐Time Detection
Authors: Cao Zhi‐Kai , Zhang Jun , Yu Yan‐Chao , Wang Bing‐Chang , Bai Xiao‐Han , Yang Jun , Liang Yi‐Tao , Ramakrishna Seeram , Long Yun‐Ze
Published: December 2021

Stimulus‐responsive nanofibers can adjust the speed of drug delivery, and real‐time monitoring elucidates the relationship between drug release and therapeutic efficacy. Both of these advantages have great potential in clinical therapy. However, the complex preparation of current stimulus‐responsive drug‐loaded nanofibers leads to low drug‐loading levels, limiting their widespread applications. In this study, we prepared pH‐responsive drug‐loaded nanofibers with fluorescence monitoring properties using the electrospinning method. A representative drug of DOX was loaded onto the nanofibers. The degradable flexible nanofibers modified by amino groups attained higher drug loading and controlled drug release. Precisely, the rate of drug release varies with different pH. Faster release speed occurs in the tumor microenvironment with faintly acidic conditions than in healthy tissues with neutral conditions. The pH‐responsive mechanism was due to hydrazone bonds between the amino groups and DOX molecules, which FTIR confirmed. In addition, these pH‐responsive nanofibers with intense upconversion fluorescence enable more sensitive monitoring, whereas weak luminescence cannot achieve.
Potential‐Controlled (R)Evolution: Electrochemical Synthesis of Nanoparticles with Well‐Defined Shapes
Authors: McDarby Sean P. , Personick Michelle L.
Published: December 2021

To enable the rational design of synthetic approaches for producing precisely defined nanomaterials, a detailed mechanistic understanding needs to be established. Colloidal approaches to nanoparticle growth have been used to produce many novel shape‐ and composition‐controlled nanoparticles with various important target applications. Concurrently, electrochemical approaches to nanoparticle synthesis have also been developed, though at present this field is less expansive than colloidal synthesis. This review covers recent progress in the synthesis of shaped metal, metal oxide, and alloyed nanoparticles via electrochemical methods that use specific control of potential or current in combination with tailoring of the chemical growth solution environment. These approaches have produced nanoparticles with compositions and architectures that were inaccessible via standard colloidal approaches. Importantly, electrochemical nanoparticle synthesis can also serve as a powerful tool for understanding fundamental mechanisms of colloidal nanoparticle growth. We highlight multiple promising opportunities in this growing research area.
Machine Learning Application in a Phase I Clinical Trial Allows for the Identification of Clinical‐Biomolecular Markers Significantly Associated With Toxicity
Authors: Bedon Luca , Cecchin Erika , Fabbiani Emanuele , Dal Bo Michele , Buonadonna Angela , Polano Maurizio , Toffoli Giuseppe
Published: December 2021

Machine learning (ML) algorithms have been used to forecast clinical outcomes or drug adverse effects by analyzing different data sets such as electronic health records, diagnostic data, and molecular data. However, ML implementation in phase I clinical trial is still an unexplored strategy that implies challenges such as the selection of the best development strategy when dealing with limited sample size. In the attempt to better define prechemotherapy baseline clinical and biomolecular predictors of drug toxicity, we trained and compared five ML algorithms starting from clinical, blood biochemistry, and genotype data derived from a previous phase Ib study aimed to define the maximum tolerated dose of irinotecan (FOLFIRI (folinic acid, fluorouracil, and irinotecan) plus bevacizumab regimen) in patients with metastatic colorectal cancer. During cross‐validation the Random Forest algorithm achieved the best performance with a mean Matthews correlation coefficient of 0.549 and a mean accuracy of 80.4%; the best predictors of dose‐limiting toxicity at baseline were hemoglobin, serum glutamic oxaloacetic transaminase (SGOT), and albumin. The feasibility of a prediction model prototype was in principle assessed using the two distinct dose escalation cohorts, where in the validation cohort the model scored a Matthews correlation coefficient of 0.59 and an accuracy of 82.0%. Moreover, we found a strong relationship between SGOT and irinotecan pharmacokinetics, suggesting its role as surrogates’ estimators of the irinotecan metabolism equilibrium. In conclusion, the potential application of ML techniques to phase I study could provide clinicians with early prediction tools useful both to ameliorate the management of clinical trials and to make more adequate treatment decisions.
Simple deterministic modeling can guide the design of breeding pipelines for self‐pollinated crops
Authors: Atlin Gary N. , Econopouly Bethany Fallon
Published: December 2021

Genetic gains delivered by plant breeding programs in the developing world must increase to deliver adaptation to a changing climate. Programs should be planned and optimized, with respect to gains per year and per dollar invested, as cyclic population improvement pipelines whose selection response is described by the breeder's equation (BE). We present a spreadsheet‐implemented model for the BE that includes operating costs. The model can be easily used to compare predicted selection response per cycle for different pipeline designs and resource allocation scenarios for self‐pollinated crops or hybrid crops that use inbred lines as parents. We modeled breeding programs that generate and select among F2– to F6–derived or doubled‐haploid (DH) lines, advance populations from one to three generations annually, and conduct agronomic testing in one to three stages during the main cropping season. Reducing cycle time is the most efficient method of increasing genetic gain under most circumstances. Although gains increase with increased population size and selection intensity, clear optima exist, in terms of the cost of a unit of gain, at relatively small population sizes and moderate selection intensities. Investments in reducing cycle length to three or even two years generate large increases in genetic gain and are more cost‐effective than increasing population size and standardized selection differential. High rates of genetic gain can be delivered by small breeding programs that complete cycles quickly.
Boosting Electrochemical Oxygen Reduction Performance of Iron Phthalocyanine through Axial Coordination Sphere Interaction
Authors: Zhang Wenlin , Meeus Eva J. , Wang Lei , Zhang Lu‐Hua , Yang Shuangcheng , de Bruin Bas , Reek Joost N. H. , Yu Fengshou
Published: December 2021

Precise regulation of the electronic states of catalytic sites through molecular engineering is highly desired to boost catalytic performance. Herein, a facile strategy was developed to synthesize efficient oxygen reduction reaction (ORR) catalysts, based on mononuclear iron phthalocyanine supported on commercially available multi‐walled carbon nanotubes that contain electron‐donating functional groups (FePc/CNT‐R, with “R” being −NH2, −OH, or −COOH). These functional groups acted as axial ligands that coordinated to the Fe site, confirmed by X‐ray photoelectron spectroscopy and synchrotron‐radiation‐based X‐ray absorption fine structure. Experimental results showed that FePc/CNT‐NH2, with the most electron‐donating −NH2 axial ligand, exhibited the highest ORR activity with a positive onset potential (Eonset=1.0 V vs. reversible hydrogen electrode) and half‐wave potential (E1/2=0.92 V). This was better than the state‐of‐the‐art Pt/C catalyst (Eonset=1.00 V and E1/2=0.85 V) under the same conditions. Overall, the functionalized FePc/CNT‐R assemblies showed enhanced ORR performance in comparison to the non‐functionalized FePc/CNT assembly. The origin of this behavior was investigated using density functional theory calculations, which demonstrated that the coordination of electron‐donating groups to FePc facilitated the adsorption and activation of oxygen. This study not only demonstrates a series of advanced ORR electrocatalysts, but also introduces a feasible strategy for the rational design of highly active electrocatalysts for other proton‐coupled electron transfer reactions.
An ultra‐low power and low jitter frequency synthesizer for 5G wireless communication and IoE applications
Authors: Bagheri Mohammad , Li Xun
Published: December 2021

This paper presents a fully integrated analog phase‐locked loop (PLL) fractional‐N frequency synthesizer for 5G wireless communication and Internet‐of‐Everything (IoE) applications. To demonstrate the effectiveness of this frequency synthesizer, we apply it to three wireless communication standards. Contrary to using Verilog or VHDL to implement the programmable frequency divider, we propose a new approach in the transistor level with a new divide‐by‐2/3 circuit, dynamic asynchronous resettable D and JK flip‐flops, and the OR & AND gates to customize the divider for low‐power, low‐jitter, and fast‐lock time applications. In addition, we have designed a new frequency phase detector (PFD) to overcome the dead region issue. An ultra‐low phase noise and low‐power voltage control oscillator (VCO) is exploited from our previous work with the flicker noise corner frequency around 10 kHz to achieve the lowest possible phase noise. The implementation is done in 180‐nm standard CMOS technology. It covers two frequency ranges including 2.4 to 2.48 GHz and 5 to 5.825 GHz for these wireless communication standards. According to simulations in the worst case, the lock time, rms‐jitter, in‐band fractional spur, power consumption, and jitter‐power figure‐of‐merit of the frequency synthesizer is 18 μs, 56 fs, −63 dBc, 4 mW, and −259, respectively.
Eating disorders early app use mediates treatment effect on clinical improvement
Authors: Kim Jane Paik , Sadeh‐Sharvit Shiri , Welch Hannah A. , Neri Eric , Tregarthen Jenna , Lock James
Published: December 2021

Objective

Eating disorders (EDs) contribute considerably to the global burden of disease. However, most affected individuals do not receive treatment. Mobile apps present an enormous opportunity to increase access to mental healthcare services. This study examined whether the degree of usage of a self‐help app for EDs mediated the app's effects on the clinical response by individuals with EDs.

Method

App usage measures included the total number of cognitive‐behavioral meal logs, total number of days spent using the app, and the last day the app was used during the study period. Mediation analysis was performed using the MacArthur framework.

Results

All usage variables met the analytic requirements for testing mediation (group means (sd) for app and standard app, respectively: logs = 74 (108) vs. 51.4 (88.1), days spent = 14.3 (17.5) vs. 10.6 (15.0), p‐values from Wilcox rank sum tests p < .01). Regression coefficients indicated mediation effects. The mediation effects demonstrated support that increased engagement (as measured by logs and time spent on the app) was related to an increased likelihood of achieving a significant clinical change by the end of the trial.

Discussion

Greater and longer engagement in an ED app mediates its efficacy in terms of ED remission.
Digital technology use and muscle‐building behaviors in young adults
Authors: Nagata Jason M. , Hazzard Vivienne M. , Ganson Kyle T. , Hahn Samantha L. , Neumark‐Sztainer Dianne , Eisenberg Marla E.
Published: December 2021

Objective

Digital technology use and muscle‐building behaviors reflect a wide range of behaviors with associated health risks. However, links between digital technology use and muscle‐building behaviors remain unknown and this study aimed to address this gap.

Method

Data were collected from a diverse sample of 1,483 young adults (mean age 22.2 ± 2.0 years) participating in the population‐based Eating and Activity over Time 2018 study. Gender‐stratified‐modified Poisson regression models were used to determine cross‐sectional associations between three types of digital technology use (screen time, social media, weight‐related self‐monitoring apps) and five types of muscle‐building behaviors (changing eating, exercise, protein powders/shakes, pre‐workout drinks, steroids/growth hormone/creatine/amino acids) in young adulthood, adjusted for sociodemographic characteristics and body mass index.

Results

Screen time and social media were either not found to be associated with muscle‐building behaviors or in a few instances, associated with less use of these behaviors (e.g., screen time and pre‐workout drinks in men). In contrast, the use of weight‐related self‐monitoring apps was positively associated with all muscle‐building behaviors, including steroids/growth hormone/creatine/amino acids in men (prevalence ratio [PR] = 1.83; 95% confidence interval [CI]: 1.13–2.97) and women (PR = 4.43; 95% CI: 1.68–11.68).

Discussion

While most recreational screen time may represent sedentary behaviors not related to muscle‐building behaviors, weight‐related self‐monitoring apps are highly associated with more muscle‐building behaviors and could be a future target for interventions to discourage the use of steroids and other harmful muscle‐building substances.
A Pod‐like Core‐Shell Catalyst with High Reduction Performance Under Mild Conditions
Authors: Xu Fagong , Zhan Feiyang , Zhang Beibei , Li Tuanhui , He Lei , Du Liting , Luo Shizhou , Zheng Baishu , Yun Ruirui
Published: December 2021

Recent years, tubular structure as the carrier loading nanoparticles has been reported more and more frequently which is synthesized by pyrolysis polyhedral MOFs. However, the construct mechanism has not been referred. Herein, a tubular structure has been designed by calcining modified ZIF‐8 under different temperature to reveal the formation process of tubular carbon from the polyhedron. As a result, a pod‐like core‐shell catalyst of Fe/Fe3C‐900 has been obtained and exhibits a high activity and excellent substituent tolerance for the reduction of nitro groups under mild conditions.
A survey on educational data mining methods used for predicting students' performance
Authors: Xiao Wen , Ji Ping , Hu Juan
Published: December 2021

Predicting students' performance is one of the most important issues in educational data mining (EDM), which has received more and more attention. By predicting students' performance, we can identify students' risk of academic failure and help instructors to take some actions such as guidance or interventions to help learners as early as possible, or carry out continual evaluation of learners as to optimize learning path or personalized learning resources recommendation. In this survey, we reviewed the 80 important studies on predicting students' performance using EDM methods in 2016–2021, synthesized the procedure of building prediction model of students' performance which contains four phases and 10 key steps, and compared and discussed the latest EDM methods used in all steps. We analyzed the challenges faced by previous studies in three aspects and put forward future suggestions on data collection, EDM methods used, and interpretation of prediction model. This survey provides a comprehensive understanding and practical guide for researchers in this field, and also provides direction for further research.
Cost assessment of elasticity for a 5G broadband network
Authors: Rendon Schneir Juan , Bradford Julie , Konstantinou Konstantinos , Sumanasena Abhaya , Zimmermann Gerd , Gramaglia Marco
Published: December 2021

In the highly competitive telecommunications market, operators need to consider techniques that might lead to a more cost‐efficient use of the network resources. The recently proposed concept of resource elasticity focuses on the inherent cost reductions achieved by tailoring the resource utilization of network elements, such as radio and cloud elements, to the real network demand. However, no research has been conducted so far regarding the cost benefits that such schemes could bring to 5G networks, in terms of total cost of ownership. This article makes a novel contribution by analyzing the cost benefits of employing elasticity in a 5G network providing users with a broadband service in a hotspot area. The area exemplarily analyzed was the Port of Hamburg in Germany, which is a realistic scenario and which receives a considerable number of additional mobile users when a cruise ship arrives at the port. The results show that, for the different scenarios analyzed, the total radio access network cost reductions of using elasticity compared to a non‐elastic network range from 2.5% to 4.4%. Considering the edge cloud site‐related cost component alone, a 16.4% saving from elasticity was found. Further research is needed to understand the benefits of elasticity for other types of 5G use cases in different types of areas.
Leveling with Tinbergen: Four levels simplified to causes and consequences
Authors: Bergman Thore J. , Beehner Jacinta C.
Published: December 2021

In 1963, Niko Tinbergen published his foundational manuscript identifying the four questions we ask in animal behavior—how does the behavior emerge across the lifespan (development); how does it work (mechanism); how and why did it evolve (evolution); and why is it adaptive (function). Tinbergen clarified that these ‘levels of analysis’ are complementary, not competing, thereby avoiding many fruitless scientific debates. However, the relationships among the four levels was never established. Here, we propose ‘leveling’ Tinbergen's questions to a single temporal timescale divided into causes (encompassing mechanism, development, and evolution) and consequences (encompassing function). Scientific advances now seamlessly link evolution, development, and mechanism into a continuum of ‘causes’. The cause–consequence distinction separates the processes that precede (and lead to) a behavior, from the processes that come after (and result from) a behavior. Even for past behaviors, the functional outcomes are (historical) consequences of the causes that preceded them.
Exploring the potential of curry leaves on mercury‐induced hepatorenal toxicity in an animal model
Authors: Ijaz Muhammad , Arshad Asma , Awan Muhammad Ahmad , Tariq Muhammad Rizwan , Ali Shinawar Waseem , Ali Sajid , Shafiq Muhammad , Ahmed Saeed , Sheas Muhammad Naveed , Iftikhar Madiha , Ahmed Sheraz , Nasir Muhammad Adnan , Kausar Ghazala , Javed Ammad ul Islam , Safdar Waseem
Published: December 2021

Herbal drugs play an imperative role in healthcare programs in developing countries. Curry leaves have wide medicinal importance and are used to treat various diseases traditionally. The current study was carried out to estimate the extent of mercury toxicity and the potential effect of curry leaves against defined toxicity. The study group comprised 24 rats weighing between 130 and150 g. Group 1 was kept normal, and group 2 was exposed to mercury at 0.4 mg/kg of body weight in the form of mercuric chloride (HgCl2). The group 3 animals were treated with curry leaves with a dosage of 300 mg/kg of body weight. Group 4 was treated with curry leaves along with mercury with a dosage of 300 and 0.4 mg/kg consecutively. After 28 days, the rats were killed. Blood sample of all groups were evaluated separately to determine the results of different parameters. The results show that ALP, AST, ALT, urea, bilirubin, and creatinine increased with mercury application and decreased with curry leaf exposure. SOD, CAT, GPx, and GR of the liver as well as the kidney depleted on mercury exposure whereas they increased with curry leaf application. HDL increased with curry leaf application and decreased with mercury treatment, while LDL, triglyceride, and cholesterol decreased with curry leaves and increased with mercury exposure. Organ index in mercury along with curry leaf application got close to normal.
Astrocyte control of the entorhinal cortex‐dentate gyrus circuit: Relevance to cognitive processing and impairment in pathology
Authors: Di Castro Maria Amalia , Volterra Andrea
Published: December 2021

The entorhinal cortex‐dentate gyrus circuit is centrally involved in memory processing conveying to the hippocampus spatial and nonspatial context information via, respectively, medial and lateral perforant path (MPP and LPP) excitatory projections onto dentate granule cells (GCs). Here, we review work of several years from our group showing that astrocytes sense local synaptic transmission and exert in turn a presynaptic control at PP‐GC synapses. Modulation of neurotransmitter release probability by astrocytes sets basal synaptic strength and dynamic range for long‐term potentiation of PP‐GC synapses. Intriguingly, this astrocyte control is circuit‐specific, being present only at MPP‐GC (not LPP‐GC) synapses, which selectively express atypical presynaptic N‐methyl‐D‐aspartate receptors (NMDAR) suitable to activation by astrocyte‐released glutamate. Moreover, the astrocytic control is peculiarly dependent on the cytokine TNFα, which at constitutive levels acts as a gating factor for the astrocyte signaling. During inflammation/infection processes, increased levels of TNFα lead to uncontrolled astrocyte glutamate release, altered PP‐GC circuit processing and, ultimately, impaired contextual memory performance. The TNFα‐dependent pathological switch of the synaptic control from astrocytes and its deleterious consequences are observed in animal models of HIV brain infection and multiple sclerosis, conditions both known to cause cognitive disturbances in up to 50% of patients. The review also discusses open issues related to the identified astrocytic pathway: its role in contextual memory processing, potential damaging role in Alzheimer's disease, the existence of vesicular glutamate release from DG astrocytes, and the possible synaptic‐like connectivity between astrocytic output sites and PP receptive sites.
Deliberative Public Consultation via Deliberative Polling:Criteria and Methods
Authors: Fishkin James S.
Published: December 2021

This article poses the problem of public consultation on contested policies involving new technologies and competing values or value‐laden goals. It argues that Deliberative Polling, an approach developed by the author, can be usefully employed to engage representative samples to deliberate in depth in controlled experiments so as to yield a picture of the public's considered judgments. It also argues from recent experience that such consultations can be cost effectively conducted online with stratified random samples. It draws on examples from various issue domains including climate and energy as well as prototype deliberations conducted on gene editing in the wild. It sets out criteria that Deliberative Polling, as well as other designs, should satisfy if policy recommendations based on the data generated by these public consultations are to be credible.
Dopamine depletion and subcortical dysfunction disrupt cortical synchronization and metastability affecting cognitive function in Parkinson's disease
Authors: Wang Linbo , Zhou Cheng , Cheng Wei , Rolls Edmund T. , Huang Peiyu , Ma Ningning , Liu Yuchen , Zhang Yajuan , Guan Xiaojun , Guo Tao , Wu Jingjing , Gao Ting , Xuan Min , Gu Quanquan , Xu Xiaojun , Zhang Baorong , Gong Weikang , Du Jingnan , Zhang Wei , Feng Jianfeng , Zhang Minming
Published: December 2021

Parkinson's disease (PD) is primarily characterized by the loss of dopaminergic cells and atrophy in subcortical regions. However, the impact of these pathological changes on large‐scale dynamic integration and segregation of the cortex are not well understood. In this study, we investigated the effect of subcortical dysfunction on cortical dynamics and cognition in PD. Spatiotemporal dynamics of the phase interactions of resting‐state blood‐oxygen‐level‐dependent signals in 159 PD patients and 152 normal control (NC) individuals were estimated. The relationships between subcortical atrophy, subcortical–cortical fiber connectivity impairment, cortical synchronization/metastability, and cognitive performance were then assessed. We found that cortical synchronization and metastability in PD patients were significantly decreased. To examine whether this is an effect of dopamine depletion, we investigated 45 PD patients both ON and OFF dopamine replacement therapy, and found that cortical synchronization and metastability are significantly increased in the ON state. The extent of cortical synchronization and metastability in the OFF state reflected cognitive performance and mediates the difference in cognitive performance between the PD and NC groups. Furthermore, both the thalamic volume and thalamocortical fiber connectivity had positive relationships with cortical synchronization and metastability in the dopaminergic OFF state, and mediate the difference in cortical synchronization between the PD and NC groups. In addition, thalamic volume also reflected cognitive performance, and cortical synchronization/metastability mediated the relationship between thalamic volume and cognitive performance in PD patients. Together, these results highlight that subcortical dysfunction and reduced dopamine levels are responsible for decreased cortical synchronization and metastability, further affecting cognitive performance in PD. This might lead to biomarkers being identified that can predict if a patient is at risk of developing dementia.