bluuebunny/crossref_metadata_2025 huggingface dataset:
Ligand Engineering in Nickel Phthalocyanine to Boost the Electrocatalytic Reduction of CO2
Authors: Chen Kejun , Cao Maoqi , Lin Yiyang , Fu Junwei , Liao Hanxiao , Zhou Yajiao , Li Hongmei , Qiu Xiaoqing , Hu Junhua , Zheng Xusheng , Shakouri Mohsen , Xiao Qunfeng , Hu Yongfeng , Li Jun , Liu Jilei , Cortés Emiliano , Liu Min
Published: December 2021

Designing and synthesizing efficient molecular catalysts may unlock the great challenge of controlling the CO2 reduction reaction (CO2RR) with molecular precision. Nickel phthalocyanine (NiPc) appears as a promising candidate for this task due to its adjustable Ni active‐site. However, the pristine NiPc suffers from poor activity and stability for CO2RR owing to the poor CO2 adsorption and activation at the bare Ni site. Here, a ligand‐tuned strategy is developed to enhance the catalytic performance and unveil the ligand effect of NiPc on CO2RR. Theoretical calculations and experimental results indicate that NiPc with electron‐donating substituents (hydroxyl or amino) can induce electronic localization at the Ni site which greatly enhances the CO2 adsorption and activation. Employing the optimal catalyst—an amino‐substituted NiPc—to convert CO2 into CO in a flow cell can achieve an ultrahigh activity and selectivity of 99.8% at current densities up to −400 mA cm−2. This work offers a novel strategy to regulate the electronic structure of active sites by ligand design and discloses the ligand‐directed catalysis of the tailored NiPc for highly efficient CO2RR.
NIR Light‐Triggered Quantitative Pulsed Drug Release
Authors: Yang Yang , Long Kaiqi , Wang Yiqun , Li Lei , Shi Jiayue , Liu Jican , Kong Lingxi , Yu Lin , Ding Jiandong , Huang Zhili , Wang Weiping , Zhan Changyou
Published: December 2021

Quantitative drug release is important for improving therapeutic efficiency and avoiding side effects. While using long‐term delivery system for repeated therapies, it is indispensable but challenging to accurately control the drug dosing. Here, a photocleavable prodrug loaded hydrogel is proposed for near infrared (NIR) light‐triggered quantitative pulsed drug release. IR783, a commercially available NIR fluorescent dye, is conjugated with methyl honokiol (mHNK) to give a photocleavable IR783‐mHNK prodrug. Injectable glycol chitosan (GC) hydrogel is chosen as a reservoir, in which IR783‐mHNK can be efficiently loaded via electrostatic and hydrophobic interactions. Upon 680 nm light‐emitting diode (LED) light irradiation, IR783‐mHNK cleaves and mHNK is released. Notably, it is found that IR783‐mHNK presents synchronous photocleavage‐fluorescence bleaching phenomenon. The released amount of mHNK is visible by measuring the residual fluorescent intensity of hydrogel. Quantitative drug release is achieved by controlling irradiation duration and the drug release process is visible by fluorescence imaging. The prodrug‐loaded hydrogel shows good stability, minimum leakage and efficient light responsibility both in vitro and in vivo. After light triggering, monitorable quantitative mHNK release and on‐demand sleep‐promotiing effect are verified in mice without toxicities.
Controlled n‐Doping of Naphthalene‐Diimide‐Based 2D Polymers
Authors: Evans Austin M. , Collins Kelsey A. , Xun Sangni , Allen Taylor G. , Jhulki Samik , Castano Ioannina , Smith Hannah L. , Strauss Michael J. , Oanta Alexander K. , Liu Lujia , Sun Lei , Reid Obadiah G. , Sini Gjergji , Puggioni Danilo , Rondinelli James M. , Rajh Tijana , Gianneschi Nathan C. , Kahn Antoine , Freedman Danna E. , Li Hong , Barlow Stephen , Rumbles Garry , Brédas Jean‐Luc , Marder Seth R. , Dichtel William R.
Published: December 2021

2D polymers (2DPs) are promising as structurally well‐defined, permanently porous, organic semiconductors. However, 2DPs are nearly always isolated as closed shell organic species with limited charge carriers, which leads to low bulk conductivities. Here, the bulk conductivity of two naphthalene diimide (NDI)‐containing 2DP semiconductors is enhanced by controllably n‐doping the NDI units using cobaltocene (CoCp2). Optical and transient microwave spectroscopy reveal that both as‐prepared NDI‐containing 2DPs are semiconducting with sub‐2 eV optical bandgaps and photoexcited charge‐carrier lifetimes of tens of nanoseconds. Following reduction with CoCp2, both 2DPs largely retain their periodic structures and exhibit optical and electron‐spin resonance spectroscopic features consistent with the presence of NDI‐radical anions. While the native NDI‐based 2DPs are electronically insulating, maximum bulk conductivities of >10−4 S cm−1 are achieved by substoichiometric levels of n‐doping. Density functional theory calculations show that the strongest electronic couplings in these 2DPs exist in the out‐of‐plane (π‐stacking) crystallographic directions, which indicates that cross‐plane electronic transport through NDI stacks is primarily responsible for the observed electronic conductivity. Taken together, the controlled molecular doping is a useful approach to access structurally well‐defined, paramagnetic, 2DP n‐type semiconductors with measurable bulk electronic conductivities of interest for electronic or spintronic devices.
Synergistic Binary Fe–Co Nanocluster Supported on Defective Tungsten Oxide as Efficient Oxygen Reduction Electrocatalyst in Zinc‐Air Battery
Authors: Han Qinglin , Zhao Ximeng , Luo Yuhong , Wu Lanlan , Sun Shujuan , Li Jingde , Wang Yanji , Liu Guihua , Chen Zhongwei
Published: December 2021

Rational design of metal oxide supported non‐precious metals is essential for the development of stable and high‐efficiency oxygen reduction reaction (ORR) electrocatalysts. Here, an efficient ORR catalyst consisting of binary Fe/Co nanoclusters supported by defective tungsten oxide and embedded N‐doped carbon layer (NC) with a 3D ordered macroporous architecture (3DOM Fe/Co@NC‐WO2−x) is developed. The oxygen deficient 3DOM WO2−x not only serves as a porous and stable support, but also enhances the conductivity and ensures good dispersion of the binary Fe/Co nanocluster, benefiting its ORR catalytic activity. Theoretical calculation shows that there exists a synergistic effect of electron transfer from Fe to Co in the supported binary Fe/Co cluster, promoting the ORR reaction energetics. Accordingly, the 3DOM Fe/Co@NC‐WO2−x catalyst exhibits excellent ORR activity in alkaline medium with a half wave potential (E1/2) of 0.87 V higher than that of Pt/C (0.85 V). The zinc–air batteries assembled by 3DOM Fe/Co@NC‐WO2−x cathode deliver a higher power density and specific capacity than that of Pt/C. A new strategy of combining synergistic binary‐metal nanoclusters and conductive metal oxide support design is provided here to develop efficient and durable ORR electrocatalyst.
Systematic online academic resource (SOAR) review: Endocrine, metabolic, and nutritional disorders
Authors: Hsiao Jonie J. , Pedigo Ryan , Bae Shirley W. , Jung JooYeon , Zhao Lisa , Trueger Nathan S. , Chan Teresa M. , Grock Andrew
Published: December 2021

Background

Free open‐access medical education (FOAM) has become an integral resource for medical school and residency education. However, questions of quality and inconsistent coverage of core topics remain. In this second entry of the SAEM Systematic Online Academic Resource (SOAR) series, we describe the application of a systematic methodology to identify, curate, and describe FOAM topics specific to endocrine, metabolic, and nutritional disorders as defined by the 2016 Model of the Clinical Practice of Emergency Medicine (MCPEM).

Methods

We developed an automated algorithm to search 264 keywords derived from nine subtopics within the MCPEM category in the FOAM Search (a customized FOAM search tool) and the Social Media index. The top 100 results were extracted for each keyword. Resources underwent a manual iterative screening process, and those relevant to endocrine, metabolic, or nutritional disorders and EM were evaluated with the revised Medical Education Translational Resources: Impact and Quality (rMETRIQ) tool.

Results

The search yielded 36,346 resources, of which 756 met the criteria for quality assessment. After rMETRIQ tool training, four raters demonstrated an average measured intraclass correlation coefficient of 0.94 (95% confidence interval = 0.88 to 0.97, p < 0.001). A total of 121 posts (16% of posts) covering 25 subtopics were identified as high quality (rMETRIQ ≥16). The most covered subtopic was potassium disorders, representing 15% of all posts. Subtopics that did not have a high‐quality resource identified include metabolic alkalosis, respiratory alkalosis, fluid overload, phosphorus metabolism, hyperglycemia, malabsorption, malnutrition, and thyroiditis. From most to least common, the overall target audience was junior resident (91%), PGY‐1 resident (88%), senior resident (81%), clerk (64%), attending (50%), and preclerkship (9%).

Conclusions

We systematically identified, described, and curated FOAM resources for EM learners on the topic of endocrine, metabolic, and nutritional disorders. A final list of high‐quality resources can guide trainees, educator recommendations, and FOAM authors.
Decreased land use intensity improves surface soil quality on marginal lands
Authors: Li Lidong , Jin Virginia L. , Kettler Timothy , Karlen Douglas L. , Nunes Márcio R. , Lehman R. Michael , Johnson Jane M. F. , Mikha Maysoon M.
Published: December 2021

The Conservation Reserve Program (CRP) has been a major factor in land transitions out of intensive row‐crop management on marginally productive lands in the central United States. While CRP can protect these more environmentally sensitive lands against erosion and potential nutrient loss, information on how CRP affects soil quality over time is limited. Using a chronosequence with 0–40 yr of CRP conversion history, we evaluated soil quality under different land use intensities (CRP, pasture, row crop) using the Soil Management Assessment Framework (SMAF). Effects of slope classes (higher [14–25%] and lower [2–14%]) and soil depth (0–120 cm) were also evaluated. Our results show that the soils were functioning at 84 and 78% of their theoretical capacity under CRP and row crop, respectively. Conversion to CRP enhanced overall soil quality by increasing soil biological, physical, and chemical attributes, but soil nutrient availability decreased due to the absence of fertilizer application. Increasing soil organic C (SOC) enhanced overall soil quality because of its impact on soil biological, physical, chemical, and nutrient conditions. Conversion to CRP will likely have greater benefits for more environmentally sensitive soils (i.e., higher slope) as demonstrated by structural equation modeling. Land use effects were also depth dependent, with more prominent effects within the 0‐to‐5‐cm than the 5‐to‐15‐cm depth increment. Overall, our methods focused on key soil quality indicators, confirmed ecological benefits of CRP conversion, and provided guidance for improved and simplified land management recommendations.
Raman Fiber Photometry for Understanding Mitochondrial Superoxide Burst and Extracellular Calcium Ion Influx upon Acute Hypoxia in the Brain of Freely Moving Animals
Authors: Liu Zhichao , Zhang Zhonghui , Liu Yuandong , Mei Yuxiao , Feng Enduo , Liu Yangyi , Zheng Tingting , Chen Jinquan , Zhang Sanjun , Tian Yang
Published: December 2021

Developing a novel tool capable of real‐time monitoring and simultaneous quantitation of multiple molecules in mitochondria across the whole brain of freely moving animals is the key bottleneck for understanding the physiological and pathological roles that mitochondria play in the brain events. Here we built a Raman fiber photometry, and created a highly selective non‐metallic Raman probe based on the triple‐recognition strategies of chemical reaction, charge transfer, and characteristic fingerprint peaks, for tracking and simultaneous quantitation of mitochondrial O2.−, Ca2+ and pH at the same location in six brain regions of free‐moving animal upon hypoxia. It was found that mitochondrial O2.−, Ca2+ and pH changed from superficial to deep brain regions upon hypoxia. It was discovered that hypoxia‐induced mitochondrial O2.− burst was regulated by ASIC1a, leading to mitochondrial Ca2+ overload and acidification. Furthermore, we found the overload of mitochondrial Ca2+ was mostly attributed to the influx of extracellular Ca2+.
Preparation and properties of a biodegradability superabsorbent composite based on flax cake protein‐g‐poly (acrylic acid)/Kaolinite
Authors: Zhang Wenxu , Guo Lulu , Liu Qian , Yang Mei , Chen Jing , Lei Ziqiang
Published: December 2021

The protein‐based superabsorbent composite FCP‐g‐PAA/Kaolinite is prepared by grafting acrylic acid (AA) into the flax cake protein (FCP) using free radical polymerization in this study. The chemical structure, thermal stability, and the morphology of the FCP‐g‐PAA/Kaolinite are characterized by Fourier transform infrared, Thermogravimetric analysis, and scanning electron microscope. The results show that AA was grafted successfully into FCP. And, it has the maximum swelling capacity where the MBA concentration, APS concentration, Kaolinite concentration, FCP concentration, neutralization degree, and reaction time was 0.13%, 1.4%, 8%, 9%, 70% and 2 h, respectively. The swelling capacity reaches 860 g/g in distilled water, 238 g/g in tap water and 78 g/g in 0.9% NaCl. In addition, its water absorbency can still reach 60% after reuse for six times and the water retention rate of the material was 70% after 12 h. Therefore, FCP has a broad application prospect as a material for preparing superabsorbent composite.
Nickel Cobaltite Nanoplate‐Based Electrochemical Sensing Platform from Printable Inks for Simultaneous Detection of Dopamine and Uric Acid
Authors: Urgunde Ajay B. , Dhamija Anandita , Gupta Ritu
Published: December 2021

2D metal oxide‐based nanomaterials have emerged as an exciting area of research owing to their rich electrochemical properties and diverse applications, including biosensors. In this work, we have synthesized ultra‐thin Co3O4, NiO, and NiCo2O4 nanostructures supported on a carbon cloth and printed graphite/Kapton substrates following thermal reduction of self‐assembled metal alkanethiolates. These nanostructures act as a sensing platform for simultaneous detection of dopamine (DA) and uric acid (UA), important biological molecules in physiological and pathological tests. The ultrathin 2D nanoplates of NiCo2O4 spinel formed in this study exhibit high electrochemical activity than pristine NiO and Co3O4. The electrochemical characterization studies indicate that NiCo2O4 possesses a high potential for DA and UA with a peak separation of ∼140 mV, high sensitivity, and excellent selectivity. The low‐cost and disposable, single‐shot probe biosensors fabricated in this work possess a wide working range of 0.001–1000 μM with detection limits of 0.33 and 0.49 nM for DA and UA, respectively, with a practically achievable limit of quantification of ∼1 nM. Multiple sensing electrodes are printed on graphite/Kapton all at once following this method with improved reproducibility for DA and UA sensing further extending the scope of work towards mass fabrication and practical usage.
Impaired attentional bias toward one's own face in autism spectrum disorder: ERP evidence
Authors: Cygan Hanna B. , Nowicka Maria M. , Nowicka Anna
Published: December 2021

Converging lines of evidence seem to indicate reduced self‐referential processing in individuals with autism spectrum disorder (ASD). However, processing of one's own face has rarely been investigated in the context of ASD. Thus, the aim of the present study was to elucidate the role of attentional biases in the processing of self‐ and other faces in ASD. To achieve this goal we presented participants with images of their own face, the face of a close‐other, and famous and unknown faces in a Stroop‐like paradigm. Participants (22 with ASD, 22 typically developing [TD]) were instructed to indicate the color of presented faces while EEG was recorded. Our event‐related potential results clearly showed that self‐face was associated with larger P3 amplitudes than all other faces in the TD group, thus indicating a strong attentional bias toward one's own face. In the ASD group, P3 to the self‐face and the close‐other's face did not differ, suggesting similar attentional biases in both cases. In line with these P3 findings, nonparametric cluster‐based permutation tests showed an analogous pattern of results: significant clusters for the self‐face compared with all other faces in the TD group, and no significant cluster in the ASD group. Overall, our findings revealed impaired attentional bias to one's own face and diminished self versus other differentiation in individuals with ASD. The similar neural underpinnings of the self‐face and other faces supports previous findings indicating reduced self‐prioritization among individuals with ASD.
Hypothesis testing in multivariate normal models with block circular covariance structures
Authors: Liang Yuli , Coelho Carlos A. , von Rosen Tatjana
Published: December 2021

In this article, we address the problem of simultaneous testing hypothesis about mean and covariance matrix for repeated measures data when both the mean vector and covariance matrix are patterned. In particular, tests about the mean vector under block circular and doubly exchangeable covariance structures have been considered. The null distributions are established for the corresponding likelihood ratio test statistics, and expressions for the exact or near‐exact probability density and cumulative distribution functions are obtained. The application of the results is illustrated by both a simulation study and a real‐life data example.
General education teacher preparation in core academic content teaching for students with developmental disabilities
Authors: Kiyak Uzeyir Emre , Tekin‐Iftar Elif
Published: December 2021

We used multiple probe design with probe trials across three teacher‐student dyads to examine the effects of a professional development on middle school general education teachers' accurate use of simultaneous prompting procedure and self‐monitoring as well as the effects of the simultaneous prompting procedure on acquisition of academic core content of middle school students with developmental disabilities in inclusive classrooms. Moreover, we investigated the maintenance and generalization effects of professional development on teachers' outcomes as well as simultaneous prompting procedure on students' outcomes. Last, teachers' and students' opinions regarding social validity of the study were investigated. Results showed that (a) teachers acquired using simultaneous prompting procedure and self‐monitoring with 100% accuracy, maintained the acquired teaching behaviors over time and generalized them across different conditions and (b) students acquired their targeted academic content, maintained them over time, and generalized them across different people. Moreover, both the opinions of teachers and the students were positive. Implication of the findings and directions for future research are discussed.
Does green innovation increase enterprise value?
Authors: Hao Xinyue , Chen Fanglin , Chen Zhongfei
Published: December 2021

Using data from 3212 enterprises in China's A‐share market during the 2007–2018 period, this paper investigates the relationship between green innovation (GI) and enterprise value by using ordinary least squares (OLS) and two‐stage least squares (2SLS) regression. We find that for every 1% increase in the proportion of the number of the enterprise's green patent applications, the enterprise value (Tobin's Q) will increase by 0.023. Moreover, GI still has a positive lag effect on enterprise value after 2 to 6 years. However, the positive effect of GI on enterprise value may only exist in young non‐state‐owned enterprises. At the same time, GI has better performance in heavy pollution industries and non‐high‐tech industries. Moreover, we prove that the improvement of profitability may be a mechanism for GI to affect enterprise value, with a mediating effect accounting for 26.1% of the total effect. The finding on the causal relationship between GI and enterprise value in this study is of great significance for further understanding of the practical value of GI and has certain reference value for the formulation of incentive policies for different industries and enterprises.
Relationship between degree of separation of endplate cartilage and severity of intervertebral disc herniation
Authors: Yang Jae Hyuk , Kim Hong Jin , Chang Dong‐Gune , Suh Seung Woo , Nam Yunjin , Song Hyun‐Sub
Published: December 2021

Degeneration of intervertebral disc and fissures in the anulus was caused by compression and distraction, which lead to nucleus pulposus herniation. However, controversy remains regarding the exact mechanism behind disc herniation. The aim of this study is to analyze histologically the differences between the three types of disc herniations in an attempt to infer the underlying mechanism. Disc samples extracted from 49 patients who underwent discectomy of the lumbar region were studied by histological analysis. The severity of disc herniation was classified as bulging, protrusion, extrusion, or sequestration based on preoperative magnetic resonance imaging measurements. For comparative analysis of sequestration characteristics, 49 patients were classified into either the sequestration or the non‐sequestration group (i.e., protrusion and extrusion) according to disc herniation type. Forty of the 49 patients had cartilage present in their disc samples upon histological analysis. The endplate cartilage‐containing samples included two of four (50%) protruded disc patients, 22 of 29 (75.9%) extruded disc patients, and 16 of 16 (100%) sequestrated disc patients and had statistical significance (p = 0.019). There were no significant differences in age, sex, body mass index, length of hospital stays, injection history, surgical methods, and Visual Analog Scale between the sequestration and non‐sequestration group (all p > 0.05). Separation of endplate cartilage increased with the severity of disc herniation. Therefore, the mechanism of disc herniation should consider the connection with endplate cartilage as an initiating link in the mechanical failure of intervertebral discs.
Examining the association between oncology drug clinical benefit and the time to public reimbursement
Authors: Thomson Sasha , Everest Louis , Witzke Noah , Jiao Tina , Delos Santos Seanthel , Nguyen Vivian , Cheung Matthew C. , Chan Kelvin K. W.
Published: December 2021

Background

We examined if oncology drug indications with high clinical benefit, as measured by the American Society of Clinical Oncology Value Framework (ASCO‐VF) and European Society for Medical Oncology Magnitude of Clinical Benefit Scale (ESMO‐MCBS), received public reimbursement status faster than those with lower clinical benefit from the time of pan‐Canadian Oncology Drug Review (pCODR) recommendation.

Methods

Oncology drug indications submitted to pCODR between July 2011 and October 2018 were examined. Included indications had a regulatory approval date, completed the pCODR review process, received a positive pCODR recommendation, and been funded by at least one province. Trials cited for clinical efficacy were used to determine the clinical benefit (per ASCO‐VF and ESMO‐MCBS) of drug indications.

Results

Eighty‐four indications were identified, yielding 65 ASCO‐VF and 50 ESMO‐MCBS scores. The mean ASCO‐VF and ESMO‐MCBS scores were 44.9 (SD = 21.1) and 3.3 (SD = 1.0), respectively. The mean time to provincial reimbursement from pCODR recommendation was 13.2 months (SD = 9.3 months). Higher ASCO‐VF and ESMO‐MCBS scores had low correlation with shorter time to reimbursement, (ρ = −0.21) and (ρ = 0.24), respectively. In the multivariable analyses, ASCO‐VF (p = 0.40) and ESMO‐MCBS (p = 0.31) scores were not significantly associated with time to reimbursement. Province and year of pCODR recommendation were associated with time to reimbursement in both ASCO and ESMO models.

Conclusions

Oncology drug indications with higher clinical benefit do not appear to be reimbursed faster than those with low clinical benefit. This suggests the need to prioritize oncology drug indications based on clinical benefit to ensure quicker access to oncology drugs with the greatest benefits.
Aspartate aminotransferase/alanine aminotransferase ratio and subsequent cancer development
Authors: Kobayashi Daiki , Yamamoto Kazuki , Kimura Takeshi , Shimbo Takuro
Published: December 2021

Background

We aimed to evaluate the association between the aspartate aminotransferase (AST)/alanine aminotransferase (ALT) ratio and subsequent development of any type of cancer in an apparently healthy population.

Methods

We conducted a retrospective cohort study at St. Luke's International Hospital, Tokyo, Japan between 2005 and 2018. All participants who visited for voluntary health checkups were included. We divided the participants into different quintiles based on the baseline AST/ALT ratios and examined the outcomes.

Results

A total of 85,658 participants were included. The mean age was 44.7 years (standard deviation 12.0) at baseline, and 42,913 (50.1%) of them were men. During a median follow‐up of 61.6 months, 4701 (5.5%) participants developed some type of cancer. Compared with the middle AST/ALT ratio group, no other groups had similar adjusted hazard ratios (HR) for the development of any type of cancer in both men and women. When stratified by alcohol consumption, very high (adjusted HR 1.36; 95% CI 1.13–1.63) and high (adjusted HR 1.26; 95% CI 1.05–1.50) AST/ALT ratio groups among men who were regular drinkers had increased adjusted HRs for any type of cancer development, but the very high AST/ALT ratio group among men who were abstainers (adjusted HR 0.64; 95% CI 0.42–0.97) and very low AST/ALT ratio group among men who were occasional drinkers (adjusted HR 0.69; 95% CI 0.48–0.98) had lower adjusted HRs compared with the middle AST/ALT ratio group. Among women, regardless of alcohol consumption, adjusted HR for any type of cancer development was similar across all AST/ALT ratio groups.

Conclusion

People with higher AST/ALT ratios tended to have a higher risk of developing any type of cancer among men who were regular drinkers, but this risk was lower among men who were abstainers. Among women, regardless of alcohol consumption, there was no association between the development of any type of cancer and AST/ALT ratio.
Novel Quinic Acid Glycerates from Tussilago farfara Inhibit Polypeptide GalNAc‐Transferase
Authors: Feng Juan , Li Yu‐Peng , Hu Youtian , Zhou Yueyang , Zhang Hua , Wu Fang
Published: December 2021

The discovery of a bioactive inhibitor tool for human polypeptide N‐acetylgalactosaminyl transferases (GalNAc‐Ts), the initiating enzyme for mucin‐type O‐glycosylation, remains challenging. In the present study, we identified an array of quinic acid derivatives, including four new glycerates (1–4) from Tussilago farfara, a traditional Chinese medicinal plant, as active inhibitors of GalNAc‐T2 using a combined screening approach with a cell‐based T2‐specific sensor and purified enzyme assay. These inhibitors dose‐dependently inhibited human GalNAc‐T2 but did not affect O‐linked N‐acetylglucosamine transferase (OGT), the other type of glycosyltransferase. Importantly, they are not cytotoxic and retain inhibitory activity in cells lacking elongated O‐glycans, which are eliminated by the CRISPR/Cas9 gene editing tool. A structure‐activity relationship study unveiled a novel quinic acid‐caffeic acid conjugate pharmacophore that directs inhibition. Overall, these new natural product inhibitors could serve as a basis for developing an inhibitor tool for GalNAc‐T2.
Sulfation Pattern Dependent Iron(III) Mediated Interleukin‐8 Glycan Binding
Authors: Brunori Francesco , Padhi Deepak Kumar , Alshanski Israel , Freyse Joanna , Dürig Jan‐Niklas , Penk Anja , Vaccaro Luigi , Hurevich Mattan , Rademann Jörg , Yitzchaik Shlomo
Published: December 2021

Cytokines such as interleukin‐8 activate the immune system during infection and interact with sulfated glycosaminoglycans with specific sulfation patterns. In some cases, these interactions are mediated by metal ion binding which can be used to tune surface‐based glycan‐protein interactions. We evaluated the effect of both hyaluronan sulfation degree and Fe3+ on interleukin‐8 binding by electrochemical impedance spectroscopy and surface characterizations. Our results show that sulfation degree and metal ion interactions have a synergistic effect in tuning the electrochemical response of the glycated surfaces to the cytokine.
Everything is outpatient these days: The new economics of sophisticated cardiovascular care
Authors: Patel Nachiket J. , Heuser Richard R.
Published: December 2021

Key Points

Same‐day discharge (SDD) after percutaneous coronary intervention (PCI) is associated with reduced cost and increased patient satisfaction.

This study demonstrates the safety of SDD after uncomplicated chronic total occlusion PCI via the forearm approach.
You are only as old as you feel? It may depend on your score
Authors: Butman Samuel M.
Published: December 2021

Key Points

Getting old makes you think more.

Hopefully those caring for you when you are old, will think more, too.

The preceding report gives a background for what parameters should be weighed prior to possible intervention in an elderly patient.
Assessing the Importance of Cation Size in the Tetragonal‐Cubic Phase Transition in Lithium‐Garnet Electrolytes**
Authors: Stockham Mark P. , Griffiths Alice , Dong Bo , Slater Peter R.
Published: December 2021

Lithium garnets are promising solid‐state electrolytes for next‐generation lithium‐ion batteries. These materials have high ionic conductivity, a wide electrochemical window and stability with Li metal. However, lithium garnets have a maximum limit of seven lithium atoms per formula unit (e.g., La3Zr2Li7O12), before the system transitions from a cubic to a tetragonal phase with poor ionic mobility. This arises from full occupation of the Li sites. Hence, the most conductive lithium garnets have Li between 6–6.55 Li per formula unit, which maintains the cubic symmetry and the disordered Li sub‐lattice.

The tetragonal phase, however, forms the highly conducting cubic phase at higher temperatures, thought to arise from increased cell volume and entropic stabilisation permitting Li disorder. However, little work has been undertaken in understanding the controlling factors of this phase transition, which could enable enhanced dopant strategies to maintain room temperature cubic garnet at higher Li contents.

Here, a series of nine tetragonal garnets were synthesised and analysed by variable temperature XRD to understand the dependence of site substitution on the phase transition temperature. Interestingly the octahedral site cation radius was identified as the key parameter for the transition temperature with larger or smaller dopants altering the transition temperature noticeably. A site substitution was, however, found to make little difference irrespective of significant changes to cell volume.
One‐Step Preparation of Fe/N/C Single‐Atom Catalysts Containing Fe−N4 Sites from an Iron Complex Precursor with 5,6,7,8‐Tetraphenyl‐1,12‐Diazatriphenylene Ligands
Authors: Matsumoto Koki , Kato Masaru , Yagi Ichizo , Xie Siqi , Asakura Kiyotaka , Noro Shin‐ichiro , Tohnai Norimitsu , Campidelli Stéphane , Hayashi Takashi , Onoda Akira
Published: December 2021

Fe/N/C single‐atom catalysts containing Fe−Nx sites prepared by pyrolysis are promising cathode materials for fuel cells and metal‐air batteries due to their high oxygen reduction reaction (ORR) activities. We have developed iron complexes containing N2‐ or N3‐chelating coordination structures with preorganized aromatic rings in a 1,12‐diazatriphenylene framework tethering bromo substituents as precursors to precisely construct Fe−N4 sites in an Fe/N/C catalyst. One‐step pyrolysis of the iron complex with carbon black forms atomically dispersed Fe−N4 sites without iron aggregates. X‐ray absorption spectroscopy (XAS) and electrochemical measurements revealed that the iron complex with N3‐coordination is more effectively converted to Fe−N4 sites catalyzing ORR with a TOF value of 0.21 e site−1 s−1 at 0.8 V vs. RHE. This indicates that the formation of Fe−N4 sites is controlled by precise tuning of the chemical structure of the iron complex precursor.
The selection of burglary cases based on multidimensional features and PageRank
Authors: Zhong Han , Li Zheng , Chen Peng , Lu Hao , Xu Yijia
Published: December 2021

With the rapid development of urbanization, a series of burglary cases occurred frequently. It is very important to push suspicious cases according to the top rank in order to improve the ability of intelligent concatenation cases. This article proposes a method of selecting burglary cases based on multidimensional features and PageRank, which could analyze the fact description of burglary cases, extract the multidimensional features of cases and perform feature representation to obtain the feature vector of each case. Then it constructed the network through the similarity between the multidimensional features and used PageRank to calculate the importance of each case for ranking. At last, the algorithm is verified based on the real data of burglary cases. The experimental results showed that the robustness test is better than the other two methods. And the proposed method is more effective and can be better applied to the sorting of burglary cases.
Biomolecular Binding under Confinement: Statistical Predictions of Steric Influence in Absence of Long‐Distance Interactions
Authors: Longatte Guillaume , Lisi Fabio , Bakthavathsalam Padmavathy , Böcking Till , Gaus Katharina , Tilley Richard D. , Gooding J. Justin
Published: December 2021

We propose a theoretical model for the influence of confinement on biomolecular binding at the single‐molecule scale at equilibrium, based on the change of the number of microstates (localization and orientation) upon reaction. Three cases are discussed: DNA sequences shorter and longer than the single strain DNA Kuhn length and spherical proteins, confined into a spherical container (liposome, droplet, etc.). The influence of confinement is found to be highly dependent on the molecular structure and significant for large molecules (relative to container size).
Century‐long stomatal density record of the nitrophyte, Rubus spectabilis L., from the Pacific Northwest indicates no effect of changing atmospheric carbon dioxide but a strong response to nutrient subsidy
Authors: Ydenberg Ron , Leyland Ben , Hipfner Mark , Prins Herbert H. T.
Published: December 2021

Triangle Island on Canada's Pacific coast is home to a large, globally important seabird breeding colony. The shrub Salmonberry Rubus spectabilis and tussock‐forming Tufted Hairgrass Deschampsia cespitosa together form ~70% of vegetation coverage and contain the vast majority (~90%) of seabird nesting burrows. Salmonberry has in recent decades greatly expanded its coverage, while that of Tufted Hairgrass has receded. Seabirds prefer not to burrow under Salmonberry, making its ongoing expansion a potential conservation issue. We investigated three hypotheses proposed to explain Salmonberry's expansion (climate change, biopedturbation, and nutrient input), using comparisons of stomatal density of Salmonberry leaves sampled from Triangle Island, other seabird colonies, other coastal locations, and from historical specimens in herbaria. Stomatal density helps regulate photosynthetic gain and control water loss, and responds to light, nutrient, carbon dioxide, and water availability. Differing patterns of stomatal density are expected among sample locations depending on which of the hypothesized factors most strongly affects Salmonberry's performance. Our data are most consistent with the nutrient input hypothesis. We discuss possible reasons why Salmonberry has expanded so recently, even though Triangle has been a large seabird colony for at least a century and likely much longer.
Binuclear Alkyne Manganese Carbonyls: Their Rearrangements to Allene, Allyl, and Vinylcarbene Derivatives by Hydrogen Migration from Methyl Substituents
Authors: Hu Yucheng , Wang Huijie , Ji Yupin , Li Huidong , Fan Qunchao , King R. Bruce , Schaefer Henry F.
Published: December 2021

Binuclear alkyne manganese carbonyls of the type (RC≡CR')Mn2(CO)n (R and R'=methyl or dimethylamino; n=8, 7, 6) and their isomers related to the experimentally known (MeC2NEt2)Mn2(CO)n (n=8, 7) structures have been investigated by density functional theory. The alkyne ligand remains intact in the only low energy (Me2N)2C2Mn2(CO)8 isomer, which has a central Mn2C2 tetrahedrane unit and is otherwise analogous to the well‐known (alkyne)Co2(CO)6 derivatives except for one more CO group per metal atom. The low‐energy structures of the unsaturated (Me2N)2C2Mn2(CO)n (n=7, 6) systems include isomers in which the nitrogen atom of one of the dimethylamino groups as well as the C≡C triple bond of the alkyne is coordinated to the central Mn2 unit. In other low‐energy (Me2N)2C2Mn2(CO)n (n=7, 6) isomers the alkyne C≡C triple bond has broken completely to form two separate bridging dimethylaminocarbyne Me2NC ligands analogous to the experimentally known iron carbonyl complex (Et2NC)2Fe2(CO)6. The (alkyne)Mn2(CO)n (n=8, 7, 6) systems of the alkynes MeC≡CMe and Me2NC≡CMe with methyl substituents have significantly more complicated potential surfaces. In these systems the lowest energy isomers have bridging ligands derived from the alkyne in which one or two hydrogen atoms have migrated from a methyl group to one or both of the alkyne carbon atoms. These bridging ligands include allene, manganallyl, and vinylcarbene ligands, the first two of which have been realized experimentally in research by Adams and coworkers. Theoretical studies suggest that the mechanism for the conversion of the simple alkyne octacarbonyl (MeC2NMe2)Mn2(CO)8 to the dimethylaminomanganaallyl complex Mn2(CO)7[μ‐η4‐C3H3Me2] involves decarbonylation to the heptacarbonyl and the hexacarbonyl complexes. Subsequent hydrogen migrations then occur through intermediates with C−H−Mn agostic interactions to give the final product. Eight transition states for this mechanistic sequence have been identified with activation energies of ∼20 kcal/mol for the first hydrogen migration and ∼14 kcal/mol for the second hydrogen migration.
A New Member of the Growing Family of Interconvertible {RuNO}6,7,8 Species. Redox and Acid‐Base Characterization of [Ru((CH2py)2Me[9]aneN3)(NO)]n+
Authors: Perdoménico Julián , Levin Natalia , Fierro Anabella C. , Cordero Chernek Oswaldo A. , Weyhermüller Thomas , Slep Leonardo D.
Published: December 2021

The preparation and characterization of a new ruthenium nitrosyl based on the pentadentate ligand (CH2py)2Me[9]aneN3 (1‐methyl‐4,7‐bis(pyridin‐2‐ylmethyl)‐1,4,7‐triazacyclononane) is reported. The octahedral species contains a {RuNO}6 fragment and can be isolated in the solid state as a PF6− salt. In acetonitrile, this platform allows exploring the reduction processes in 1‐electron steps from {RuNO}6 to {RuNO}8, with associated E° values of 0.421 V and −0.628 V (vs. Ag/AgCl, 3 M NaCl), respectively. The {RuNO}7 species is paramagnetic, its EPR spectrum in vitrified acetonitrile at 90 K is consistent with an S=
center with g=(2.0095, 1.9992, 1.8785) coupled to a 14N nucleus, with A=(6.9, 30.24, 1.85)×10−4 cm−1. In acidified aqueous solution, the first reduction process at 0.101 V leads to the formation of {RuNO}7, as in aprotic medium (acetonitrile). However, the incorporation of a second electron is coupled to a protonation process of the nitroxyl group, generating a coordinated azanone (HNO) compound with pKa(HNO)=11.0. Spectroscopic information obtained via spectroelectrochemistry and electronic structure calculations assist in the rationalization of results. Overall, this new compound enhances the library of nitrosylated Ru species with combined redox, acid‐base, and spectroscopic characterization in water and confirms experimental correlations found in related species.
Nanoarchitectured transition metal oxides and their composites for supercapacitors
Authors: Kumar Ankit , Rathore Hem Kanwar , Sarkar Debasish , Shukla Ashok
Published: December 2021

Supercapacitors have acquired a considerable scientific and technological position in the energy storage field owing to their compelling power capability, good energy density, excellent cycling stability, and ideal safety. The supercapacitor is the burgeoning candidate to cope with the ever‐growing need for green and renewable energy. High‐performance supercapacitors are realized by nanostructured electrode designs, which provide ameliorated surface area for abundant electrode‐electrolyte interaction, ease of electron transfer and movement, and short ion‐diffusion pathways that lead to increased performance. In this regard, transition metal oxide (TMO)‐based electroactive materials are of significant interest owing to the remarkable combination of structural, mechanical, electrical, and electrochemical properties. Besides their high specific capacitance and energy density due to rich redox chemistry, highly reversible and fast charge‐discharge processes, low cost due to abundance, and environment‐friendliness make them the most promising materials for next‐generation supercapacitors. But poor electrical conductivity and rate capability, inferior cycling life, and low power density are some of the major challenges that need to be addressed. Therefore, various nanostructures of pristine TMOs and their composites with other materials with complementary characteristics have been fabricated and investigated to realize supercapacitors with improved performance. This review summarizes all such reported pristine TMOs with different nanostructured dimensions namely, 3D, 2D, 1D, and 0D, and their composite structures for their application as electrode materials in supercapacitors. Design of different pristine and composite nanostructures, synthesis strategies, comprehensive structure‐dependent electrochemical properties, present challenges, and future perspectives are reviewed.
Application of artificial bee colony algorithm and back propagation neural network in color evaluation of human–machine interaction interfaces
Authors: Deng Li , Deng Fuduo , Wang Guohua
Published: December 2021

People prefer an attractive human–machine interaction interface, and color is an important factor affecting attractiveness. Therefore, to evaluate the color of human–machine interaction interfaces, a back propagation neural network (BPNN) optimized by the artificial bee colony (ABC) algorithm was proposed to predict and evaluate the interface color. The process of determining the weights and thresholds of each layer of BPNN was transformed into the process of searching for the best honey source. Based on a comprehensive analysis of visual aesthetics and usability, the five color evaluation characteristics of human–machine interaction interfaces (color type, color harmony, color area, color distribution, and color difference) were extracted and expressed mathematically. The color evaluation model of the human–machine interaction interface was constructed by considering the color evaluation characteristic values as the input of BPNN and the mean values of aesthetic degree and usability by subjective evaluation as the output. The color evaluation data of websites and iPhone apps were used to train and validate the model. In Study 1, the mean squared error (MSE) and R‐Square of ABC‐BPNN were 0.0399 and 0.9400, respectively. In Study 2, the MSE and R‐Square of ABC‐BPNN were 0.0285 and 0.9195, respectively. The results showed that the prediction effect of the ABC‐BPNN model was more accurate than that of the standard BPNN and Elman‐NN models. Finally, the proposed method was applied to the interface color design of an app to improve young people's sleep, producing a color scheme that fulfilled the user's psychological expectations, which accelerated the design process.
Surface slip variability on strike‐slip faults
Authors: Reitman Nadine G. , Mueller Karl J. , Tucker Gregory E.
Published: December 2021

Slip in strike‐slip earthquakes is spatially variable along a fault, but the degree to which variability over short length scales is inherent to the rupture process or introduced by interpretation and measurement has not been quantified. In this study, we examine the effects of interpretation error on apparent short‐wavelength variability in surface slip distributions by comparing numerical landscape evolution models and recent ruptures on strike‐slip faults measured by hand and with image correlation. Surface slip distributions measured by hand from 63 strike‐slip earthquakes have average spatial variability (CVslip‐spatial = standard deviation/mean) of 0.43–0.52, and a total range of 0.14–1.14. Displacement measurements of offset geomorphic markers from numerical models that simulate constant slip along a fault have average spatial variability of ~0.25–0.40 when measured by hand and no spatial variability when measured by image correlation. Slip distributions from seven recent ruptures measured by image correlation have short‐wavelength variability of 0.09–0.29, which is considered inherent to how rupture propagates to the surface. Our results demonstrate that variability innate to the rupture process and introduced by interpretation both contribute substantially to the observed variability in slip distributions measured by hand. Resolving the extent to which short‐wavelength variability is inherent to rupture propagation through near‐surface material versus an artifact of interpretation furthers understanding of the relationship between surface rupture and fault mechanics and informs interpretation of slip distribution and slip‐per‐event in past earthquakes.
Photon to plate: A holistic view of photosynthetic and anthropogenic energy fluxes
Authors: Roney Heather E. , Walker Berkley J.
Published: December 2021

Modern agriculture couples photosynthetic energy with human‐applied energy supplements (e.g., fertilizers, labor, cultivation) to feed a growing population. These energy supplements usually come from fossil fuels, presenting an opportunity to decrease fossil fuel required per calorie by improving photosynthetic efficiency. To quantify how improving photosynthetic efficiency would decrease the supplemental energy needed per calorie, we present a “photon to plate” life cycle analysis of energy flows (photosynthetic and human‐applied) needed to produce fresh‐cut fries. Our results show that photosynthetic inefficiencies require ~80 times the energy used to cultivate, harvest, transport and prepare fries for consumption and that improvements to photosynthesis could reduce the energy applied by humans per calorie by almost 40%. This study highlights the magnitude of energy used during photosynthesis and the potential for photosynthetic improvements to increase agricultural sustainability.