bluuebunny/crossref_metadata_2025 huggingface dataset:
Design and Synthesis of New Bithiophene Based Planar AIE Red Light Emitters: A Detailed Theoretical and Experimental Analysis**
Authors: Mohan Makesh , Nagarajan Satyanarayan M. , Trivedi Darshak R.
Published: March 2022

Bithiophene core with −CN substituted pyrazole and imidazole side chains yieldingB1,B2, andB3have been designed and synthesized viz Schiff's base condensation reaction. Molecules, at their solid‐state exhibited red‐light emission supporting AIE mechanism. The series exhibited the highest relative quantum yield of value 18.66 % byB1with the lowest recorded forB3exhibiting 2.4 %. DFT results reveal the synthesized molecules at their optimized ground state adopt a planar structure. Theoretical calculation further validates the molecules to adopt a slip‐stacking type of molecular packing arrangement at its condensed state, conducive for AIE. A large π‐π stacking distance between the lattice plane of 3.4 Å, 3.6 Å and 3.5 Å possessed byB1,B2, andB3respectively, favors AIE. Computational calculation on electron and hole reorganization energy reveals the effective role of two −CN groups in altering the hole mobility in comparison with the other molecules in the series.
Enhanced Photocatalytic Properties of Surfactants Modified ZnO Particles Synthesized Directly via Sonochemistry Technique
Authors: Cai Mei , Shui Anze , Wang Yu , Xiong Hao , Zeng Shenghui , He Chao , Qian Junjie , Du Bin
Published: March 2022

The preparation of ZnO with outstanding photocatalytic performance by a simple method without doping the second phase is a challenge. Herein, an environmental, friendly, simple, and quick route is proposed to synthesize the surfactant modified ZnO nanoparticles using different surfactants as the photocatalyst. Introducing the sodium dodecyl sulfate (SDS), an anionic surfactant, increases surface hydroxyl groups, enhances visible light absorption intensity, reduces oxygen defects and decreases recombination rate of photo‐generated electron/hole pairs, which significantly improves the photocatalytic properties in degradation of the rhodamine B (RhB) under visible‐light. In particular, the 6 % SDS surfactant modified ZnO samples demonstrates the excellent photodegradation performance, enabling photodegradation of RhB within 15 minutes. This work provides a new route to synthesize photocatalytic materials with excellent photodegradation performance.
Transformation Mechanism and Precipitation Behavior of Nanoscale Cementite in Carbon Steels during Ultrafast Cooling
Authors: Wang Bin , Zhang Xile , Jia Tao , Wang Bingxing , Li Yanmei , Tian Yong , Wang Zhaodong , Wang Guodong
Published: March 2022

The precipitation behavior and transformation mechanism of cementite in low‐ and medium‐carbon steels (0.04–0.5% C) after hot rolling are studied using ultrafast cooling (UFC) technology. The results show that the carbon concentration and stop‐cooling temperature are the primary factors influencing the precipitation behavior of nanoscale cementite. It is found that 1) the pearlite grows discontinuously, and the nanoscale cementite is dispersed and precipitated in the 0.17% C and 0.33% C steels cooled by UFC from 953 to 873 K without the addition of microalloys, and 2) the yield strength increases gradually with decreasing UFC stop temperature. The discontinuous growth state of cementite is attained when ferrite and pearlite formation occurs alternately and competitively on the α/γ interface forefront. The growth length of ferrite when is equal to decreases significantly with the increase in carbon concentration. Moreover, the difference between the ferrite growth length and pearlite lamellar spacing decreases with the decreasing transformation temperature. The moderate carbon concentration and lower stop‐cooling temperature are more conducive to breaking up the continuity of the pearlite growth. This study of the transformation behavior of degenerate pearlite under continuous cooling conditions is more instructive for actual production.
Observations with gPhone Gravimeter in Moscow
Authors: Chistiakova Ekaterina
Published: March 2022

Long-term recordings of temporal gravity variations were made with the gPhoneX # 117 spring gravimeter at the Center of Geodesy, Cartography and SDI (TsNIIGAiK). The purpose of the observations is to obtain reliable parameters of the Earth tides and non-tidal component for a site located within the territory of Moscow. At a later stage, these parameters will be used to process absolute gravity observations. One year of recordings were chosen (April 1, 2016–March 03, 2017). Preliminary data processing is fully automated and runs in a program written in Python. In the course of the research, the parameters of the instrument drift were determined by the method of piecewise linear approximation of the observations. The estimated parameters of the Earth tides were obtained according to the algorithms of the ETERNA 3.4 program (Wenzel, Bulletin d’Informations des Marées Terrestres 124:9425–9439, 1996). The non-tidal gravity changes (the difference between the experimental and local model data) were compared with the model of temporal variations of the gravity field caused by atmospheric loading. Theoretical values were provided by EOST Loading Service.

The studies presented here, are unique for Moscow site and they are one of the first attempts to use high-precision recordings of spring gravimeters while computing observed tidal and non-tidal parameters.
Drug interaction alerts in older primary care patients, and related medically justified actions
Authors: Tukukino Carina , Parodi López Naldy , Svensson Staffan A. , Wallerstedt Susanna M.
Published: March 2022

Purpose

To describe presented interaction alerts in older patients, and the extent to which these require further medical action for the specific patient or are already being addressed.

Methods

Interaction alerts presented at a physician consultation, for 274 consecutive primary care patients treated with two or more drugs (median age: 75 years; 59% female), were extracted. These alerts are based on Janusmed, a decision support integrated in the medical records that provides recommendations for managing the interactions. One general practitioner (GP) and one GP/clinical pharmacologist determined in retrospect, first independently and then in consensus, whether the alerts justified further medical action, considering each patient’s health condition.

Results

In all, 405 drug interaction alerts in 151 (55%) patients were triggered. Medical action in response was deemed medically justified for 35 (9%) alerts in 26 (17%) patients. These actions most often involved a switch to a less interacting drug from the same drug class (n = 10), a separate intake (n = 9), or the ordering of a laboratory test (n = 8). Out of 531 actions suggested by the alert system, only 38 (7%) were applicable to the specific patient, as, for instance, laboratory parameters were already being satisfactorily monitored or a separate intake implemented.

Conclusions

More than every other older patient receives drug treatment that triggers drug interaction alerts. Nine in ten alerts were already being addressed or were not relevant in the clinical setting, whereas, for the remaining tenth, some medical action, that for unknown reasons had not been taken, was reasonable. These findings show that interaction alerts are questionable as indicators of problematic prescribing.
P2Y12-dependent activation of hematopoietic stem and progenitor cells promotes emergency hematopoiesis after myocardial infarction
Authors: Seung Hana , Wrobel Jan , Wadle Carolin , Bühler Timon , Chiang Diana , Rettkowski Jasmin , Cabezas-Wallscheid Nina , Hechler Béatrice , Stachon Peter , Maier Alexander , Weber Christian , Wolf Dennis , Duerschmied Daniel , Idzko Marco , Bode Christoph , von zur Mühlen Constantin , Hilgendorf Ingo , Heidt Timo
Published: March 2022

Emergency hematopoiesis is the driving force of the inflammatory response to myocardial infarction (MI). Increased proliferation of hematopoietic stem and progenitor cells (LSK) after MI enhances cell production in the bone marrow (BM) and replenishes leukocyte supply for local cell recruitment to the infarct. Decoding the regulation of the inflammatory cascade after MI may provide new avenues to improve post-MI remodeling. In this study, we describe the influence of adenosine diphosphate (ADP)-dependent P2Y12-mediated signaling on emergency hematopoiesis and cardiac remodeling after MI. Permanent coronary ligation was performed to induce MI in a murine model. BM activation, inflammatory cell composition and cardiac function were assessed using global and platelet-specific gene knockout and pharmacological inhibition models for P2Y12. Complementary in vitro studies allowed for investigation of ADP-dependent effects on LSK cells. We found that ADP acts as a danger signal for the hematopoietic BM and fosters emergency hematopoiesis by promoting Akt phosphorylation and cell cycle progression. We were able to detect P2Y12 in LSK, implicating a direct effect of ADP on LSK via P2Y12 signaling. P2Y12 knockout and P2Y12 inhibitor treatment with prasugrel reduced emergency hematopoiesis and the excessive inflammatory response to MI, translating to lower numbers of downstream progeny and inflammatory cells in the blood and infarct. Ultimately, P2Y12 inhibition preserved cardiac function and reduced chronic adverse cardiac remodeling after MI. P2Y12-dependent signaling is involved in emergency hematopoiesis after MI and fuels post-ischemic inflammation, proposing a novel, non-canonical value for P2Y12 antagonists beyond inhibition of platelet-mediated atherothrombosis.
Neuroimmune disorders in COVID-19
Authors: Ariño Helena , Heartshorne Rosie , Michael Benedict D. , Nicholson Timothy R. , Vincent Angela , Pollak Thomas A. , Vogrig Alberto
Published: March 2022

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the aetiologic agent of the coronavirus disease 2019 (COVID-19), is now rapidly disseminating throughout the world with 147,443,848 cases reported so far. Around 30–80% of cases (depending on COVID-19 severity) are reported to have neurological manifestations including anosmia, stroke, and encephalopathy. In addition, some patients have recognised autoimmune neurological disorders, including both central (limbic and brainstem encephalitis, acute disseminated encephalomyelitis [ADEM], and myelitis) and peripheral diseases (Guillain–Barré and Miller Fisher syndrome). We systematically describe data from 133 reported series on the Neurology and Neuropsychiatry of COVID-19 blog (https://blogs.bmj.com/jnnp/2020/05/01/the-neurology-and-neuropsychiatry-of-covid-19/) providing a comprehensive overview concerning the diagnosis, and treatment of patients with neurological immune-mediated complications of SARS-CoV-2. In most cases the latency to neurological disorder was highly variable and the immunological or other mechanisms involved were unclear. Despite specific neuronal or ganglioside antibodies only being identified in 10, many had apparent responses to immunotherapies. Although the proportion of patients experiencing immune-mediated neurological disorders is small, the total number is likely to be underestimated. The early recognition and improvement seen with use of immunomodulatory treatment, even in those without identified autoantibodies, makes delayed or missed diagnoses risk the potential for long-term disability, including the emerging challenge of post-acute COVID-19 sequelae (PACS). Finally, potential issues regarding the use of immunotherapies in patients with pre-existent neuro-immunological disorders are also discussed.
Machine learning versus logistic regression for prognostic modelling in individuals with non-specific neck pain
Authors: Liew Bernard X. W. , Kovacs Francisco M. , Rügamer David , Royuela Ana
Published: March 2022

Purpose

Prognostic models play an important clinical role in the clinical management of neck pain disorders. No study has compared the performance of modern machine learning (ML) techniques, against more traditional regression techniques, when developing prognostic models in individuals with neck pain.

Methods

A total of 3001 participants suffering from neck pain were included into a clinical registry database. Three dichotomous outcomes of a clinically meaningful improvement in neck pain, arm pain, and disability at 3 months follow-up were used. There were 26 predictors included, five numeric and 21 categorical. Seven modelling techniques were used (logistic regression, least absolute shrinkage and selection operator [LASSO], gradient boosting [Xgboost], K nearest neighbours [KNN], support vector machine [SVM], random forest [RF], and artificial neural networks [ANN]). The primary measure of model performance was the area under the receiver operator curve (AUC) of the validation set.

Results

The ML algorithm with the greatest AUC for predicting arm pain (AUC = 0.765), neck pain (AUC = 0.726), and disability (AUC = 0.703) was Xgboost. The improvement in classification AUC from stepwise logistic regression to the best performing machine learning algorithms was 0.081, 0.103, and 0.077 for predicting arm pain, neck pain, and disability, respectively.

Conclusion

The improvement in prediction performance between ML and logistic regression methods in the present study, could be due to the potential greater nonlinearity between baseline predictors and clinical outcome. The benefit of machine learning in prognostic modelling may be dependent on factors like sample size, variable type, and disease investigated.
Generalized Estimator for Population Mean Using Auxiliary Attribute in Stratified Two-Phase Sampling
Authors: Rana Quratulain , Qureshi Muhammad Nouman , Hanif Muhammad
Published: March 2022

In sampling theory, the auxiliary information is widely used to increase precision of the estimators when the study variable is correlated with the auxiliary variable. In several practical situations, the auxiliary information is available in the form of the auxiliary attribute(s). In this paper, we proposed a generalized estimator for the estimation of finite population mean using the auxiliary attribute under stratified two-phase sampling. The mathematical expressions of approximate bias and mean square error (MSE) of the proposed estimator are obtained to the first-order. Many special cases of the proposed estimator are also obtained using the known parameters of the auxiliary attribute. The algebraic comparisons of the MSE of the proposed estimator have been made the MSE of the competing estimators. The performance of the proposed estimator is evaluated using real data-sets. The results illustrate the good performance of the proposed estimators and its sub-cases.
Isolated Ptosis Following a Vipera aspis Bite
Authors: Blasco Mariño Robert , Soteras Martínez Iñigo , Hernandez Roca Ana Isabel , Zafren Ken
Published: March 2022

In Spain, snakebites are uncommon medical emergencies that cause barely 100 hospitalizations annually. Most of the venomous bites are by snakes of the Viperidae family. Venom from Vipera snakes is reported to have cytotoxic and hematotoxic effects, and neurological effects have also been described. Ptosis (cranial nerve III palsy) is the most common sign, although any cranial nerve can be affected. We describe isolated ptosis, which was very likely after a Vipera aspis bite in the East Catalonian Pyrenees. No antivenom was administered. The ptosis resolved spontaneously within 10 h. Although neurologic findings are usually mild, they indicate a moderate or severe envenomation. Treating snakebites can be challenging for clinicians, especially when there are uncommon clinical manifestations. A toxicologist at a poison center should be consulted to help guide management. Development of local protocols may provide clinical support.
Clovis Stone Tools from El Fin del Mundo, Sonora, Mexico: Site Use and Associations between Localities
Authors: Sánchez-Morales Ismael , Sanchez Guadalupe , Holliday Vance T.
Published: March 2022

El Fin del Mundo is an archaeological site in Sonora, northwest Mexico, that contains a buried Clovis megafauna kill in a lowland area and concentrations of Clovis and later lithic materials scattered on the deflated surface of the surrounding uplands. The Clovis lithic assemblage from the site, identified by its technological and typological features, has been classified into three modes: bifaces, unifaces, and blades. The kill locality only contains Clovis points, whereas the assemblage from the uplands includes multiple bifaces reflecting diverse stages of the manufacture process from blank production to finished, highly reduced, and discarded broken Clovis points, numerous end scrapers, and blades and blade manufacture byproducts. This assemblage is indicative of a campsite where stone tool production and possibly other domestic tasks took place. In addition, a rhyolite outcrop near both the campsite and the kill was intensively exploited, as reflected in the high proportion of this raw material in the Clovis assemblage. Unequivocal association of the kill locality and the campsite is not confirmed; however, the configuration of the site indicates that the campsite was established in uplands near locations with water, game, and lithic resources.
Using Multiple Pretreatment Periods to Improve Difference-in-Differences and Staggered Adoption Designs
Authors: Egami Naoki , Yamauchi Soichiro
Published: March 2022

While a difference-in-differences (DID) design was originally developed with one pre- and one posttreatment period, data from additional pretreatment periods are often available. How can researchers improve the DID design with such multiple pretreatment periods under what conditions? We first use potential outcomes to clarify three benefits of multiple pretreatment periods: (1) assessing the parallel trends assumption, (2) improving estimation accuracy, and (3) allowing for a more flexible parallel trends assumption. We then propose a new estimator, double DID, which combines all the benefits through the generalized method of moments and contains the two-way fixed effects regression as a special case. We show that the double DID requires a weaker assumption about outcome trends and is more efficient than existing DID estimators. We also generalize the double DID to the staggered adoption design where different units can receive the treatment in different time periods. We illustrate the proposed method with two empirical applications, covering both the basic DID and staggered adoption designs. We offer an open-source R package that implements the proposed methodologies.
Measuring discrimination experienced by people with a mental illness: replication of the short-form DISCUS in six world regions
Authors: Brohan Elaine , Thornicroft Graham , Rüsch Nicolas , Lasalvia Antonio , Campbell Megan M. , Yalçınkaya-Alkar Özden , Lanfredi Mariangela , Ochoa Susana , Üçok Alp , Tomás Catarina , Fadipe Babatunde , Sebes Julia , Fiorillo Andrea , Sampogna Gaia , Paula Cristiane Silvestre , Valverde Leonidas , Schomerus Georg , Klemm Pia , Ouali Uta , Castelein Stynke , Alexová Aneta , Oexle Nathalie , Guimarães Patrícia Neves , Sportel Bouwina Esther , Chang Chih-Cheng , Li Jie , Shanthi Chilasagaram , Reneses Blanca , Bakolis Ioannis , Evans-Lacko Sara
Published: March 2022

Background

The Discrimination and Stigma Scale (DISC) is a patient-reported outcome measure which assesses experiences of discrimination among persons with a mental illness globally.

Methods

This study evaluated whether the psychometric properties of a short-form version, DISC-Ultra Short (DISCUS) (11-item), could be replicated in a sample of people with a wide range of mental disorders from 21 sites in 15 countries/territories, across six global regions. The frequency of experienced discrimination was reported. Scaling assumptions (confirmatory factor analysis, inter-item and item-total correlations), reliability (internal consistency) and validity (convergent validity, known groups method) were investigated in each region, and by diagnosis group.

Results

1195 people participated. The most frequently reported experiences of discrimination were being shunned or avoided at work (48.7%) and discrimination in making or keeping friends (47.2%). Confirmatory factor analysis supported a unidimensional model across all six regions and five diagnosis groups. Convergent validity was confirmed in the total sample and within all regions [ Internalised Stigma of Mental Illness (ISMI-10): 0.28–0.67, stopping self: 0.54–0.72, stigma consciousness: −0.32–0.57], as was internal consistency reliability (α = 0.74–0.84). Known groups validity was established in the global sample with levels of experienced discrimination significantly higher for those experiencing higher depression [Patient Health Questionnaire (PHQ)-2: p < 0.001], lower mental wellbeing [Warwick-Edinburgh Well-being Scale (WEMWBS): p < 0.001], higher suicidal ideation [Beck Hopelessness Scale (BHS)-4: p < 0.001] and higher risk of suicidal behaviour [Suicidal Ideation Attributes Scale (SIDAS): p < 0.001].

Conclusions

The DISCUS is a reliable and valid unidimensional measure of experienced discrimination for use in global settings with similar properties to the longer DISC. It offers a brief assessment of experienced discrimination for use in clinical and research settings.
Musical development then and now: in conversation with June Boyce-Tillman
Authors: Boyce-Tillman June , Anderson Anthony
Published: March 2022

June Boyce-Tillman and Keith Swanwick’s article on musical development is the second most widely cited paper in the history of the British Journal of Music Education. It appears in many discussions of musical development. A selection of the diverse domains where the paper is cited includes: instrumental teaching, Special Education Needs, primary school teaching, the development of learning for professional musicians, secondary school teaching, musicians’ skill development, adult music teaching and jazz improvisation. However, the background to this work, which was conceived for June Boyce-Tillman’s PhD thesis, is not always so well known. This article presents a research interview with June Boyce-Tillman conducted in August 2017. It explores her musical background and music education experiences, and seeks to enable further discussion of the characteristics which were described in the spiral model. The interview focuses on the concepts of Materials, vernacular, and musical Values, in particular, and the implications of these modes of understanding for classroom practices, including curriculum design.
Histological finding of maternal antibody-associated congenital heart block accompanied by large atrial septal defect and severe cardiac dysfunction
Authors: Endo Yasuhiro , Kawai Yoko , Yamagishi Masaaki
Published: March 2022

Cardiac dysfunction commonly occurs in congenital heart block associated with maternal anti-SSA antibodies, especially after pacemaker implantation. We report the case of a 4-year-old girl with antibody-associated congenital heart block and a large secundum atrial septal defect who presented with significant cardiac dysfunction 4 years after pacemaker implantation. Histological findings were useful for determining the course of treatment and perioperative risk of intracardiac repair.
TRIM46 activates AKT/HK2 signaling by modifying PHLPP2 ubiquitylation to promote glycolysis and chemoresistance of lung cancer cells
Authors: Tantai Jicheng , Pan Xufeng , Chen Yong , Shen Yuzhou , Ji Chunyu
Published: March 2022

The incidence of lung cancer is increasing worldwide. Although great progress in lung cancer treatment has been made, the clinical outcome is still unsatisfactory. Tripartite motif (TRIM)-containing proteins has been shown to be closely related to tumor progression. However, the function of TRIM46 in lung cancer is largely unknown. Here, TRIM46 amplification was found in lung adenocarcinoma (LUAD) tissues and TRIM46 amplification was significantly associated with a poor survival rate. Overexpression of wild type TRIM46 increased the proliferation of LUAD cells and glycolysis, promoted xenografts growth, and enhanced cisplatin (DDP) resistance of LUAD cells via increased ubiquitination of pleckstrin homology domain leucine-rich repeat protein phosphatase 2 (PHLPP2) and upregulation of p-AKT. In contrast, overexpression of RING-mutant TRIM46 did not show any effects, suggesting the function of TRIM46 was dependent on the E3 ligase activity. Furthermore, we found that TRIM46 promoted LUAD cell proliferation and DDP resistance by enhancing glycolysis. PHLPP2 overexpression reversed the effects of TRIM46 overexpression. Amplification of TRIM46 also promoted LUAD growth and enhanced its DDP resistance in a patient-derived xenograft (PDX) model. In conclusion, our data highlight the importance of TRIM46/PHLPP2/AKT signaling in lung cancer and provide new insights into therapeutic strategies for lung cancer.
Phase II trial of cytarabine and mitoxantrone with devimistat in acute myeloid leukemia
Authors: Anderson Rebecca , Miller Lance D. , Isom Scott , Chou Jeff W. , Pladna Kristin M. , Schramm Nathaniel J. , Ellis Leslie R. , Howard Dianna S. , Bhave Rupali R. , Manuel Megan , Dralle Sarah , Lyerly Susan , Powell Bayard L. , Pardee Timothy S.
Published: March 2022

Devimistat is a TCA cycle inhibitor. A previously completed phase I study of devimistat in combination with cytarabine and mitoxantrone in patients with relapsed or refractory AML showed promising response rates. Here we report the results of a single arm phase II study (NCT02484391). The primary outcome of feasibility of maintenance devimistat following induction and consolidation with devimistat in combination with high dose cytarabine and mitoxantrone was not met, as maintenance devimistat was only administered in 2 of 21 responders. The secondary outcomes of response (CR + CRi) and median survival were 44% (21/48) and 5.9 months respectively. There were no unexpected toxicities observed. An unplanned, post-hoc analysis of the phase I and II datasets suggests a trend of a dose response in older but not younger patients. RNA sequencing data from patient samples reveals an age-related decline in mitochondrial gene sets. Devimistat impairs ATP synthesis and we find a correlation between mitochondrial membrane potential and sensitivity to chemotherapy. Devimistat also induces mitochondrial reactive oxygen species and turnover consistent with mitophagy. We find that pharmacological or genetic inhibition of mitochondrial fission or autophagy sensitizes cells to devimistat. These findings suggest that an age related decline in mitochondrial quality and autophagy may be associated with response to devimistat however this needs to be confirmed in larger cohorts with proper trial design.
Repetitive marsquakes in Martian upper mantle
Authors: Sun Weijia , Tkalčić Hrvoje
Published: March 2022

Marsquakes excite seismic wavefield, allowing the Martian interior structures to be probed. However, the Martian seismic data recorded by InSight have a low signal-to-noise ratio, making the identification of marsquakes challenging. Here we use the Matched Filter technique and Benford’s Law to detect hitherto undetected events. Based on nine marsquake templates, we report 47 newly detected events, >90% of which are associated with the two high-quality events located beneath Cerberus Fossae. They occurred at all times of the Martian day, thus excluding the tidal modulation (e.g., Phobos) as their cause. We attribute the newly discovered, low-frequency, repetitive events to magma movement associated with volcanic activity in the upper mantle beneath Cerberus Fossae. The continuous seismicity suggests that Cerberus Fossae is seismically highly active and that the Martian mantle is mobile.
Electrically driven reprogrammable phase-change metasurface reaching 80% efficiency
Authors: Abdollahramezani Sajjad , Hemmatyar Omid , Taghinejad Mohammad , Taghinejad Hossein , Krasnok Alex , Eftekhar Ali A. , Teichrib Christian , Deshmukh Sanchit , El-Sayed Mostafa A. , Pop Eric , Wuttig Matthias , Alù Andrea , Cai Wenshan , Adibi Ali
Published: March 2022

Phase-change materials (PCMs) offer a compelling platform for active metaoptics, owing to their large index contrast and fast yet stable phase transition attributes. Despite recent advances in phase-change metasurfaces, a fully integrable solution that combines pronounced tuning measures, i.e., efficiency, dynamic range, speed, and power consumption, is still elusive. Here, we demonstrate an in situ electrically driven tunable metasurface by harnessing the full potential of a PCM alloy, Ge2Sb2Te5 (GST), to realize non-volatile, reversible, multilevel, fast, and remarkable optical modulation in the near-infrared spectral range. Such a reprogrammable platform presents a record eleven-fold change in the reflectance (absolute reflectance contrast reaching 80%), unprecedented quasi-continuous spectral tuning over 250 nm, and switching speed that can potentially reach a few kHz. Our scalable heterostructure architecture capitalizes on the integration of a robust resistive microheater decoupled from an optically smart metasurface enabling good modal overlap with an ultrathin layer of the largest index contrast PCM to sustain high scattering efficiency even after several reversible phase transitions. We further experimentally demonstrate an electrically reconfigurable phase-change gradient metasurface capable of steering an incident light beam into different diffraction orders. This work represents a critical advance towards the development of fully integrable dynamic metasurfaces and their potential for beamforming applications.
An improved daily standardized precipitation index dataset for mainland China from 1961 to 2018
Authors: Wang Qianfeng , Zhang Rongrong , Qi Junyu , Zeng Jingyu , Wu Jianjun , Shui Wei , Wu Xiaoping , Li Jianwei
Published: March 2022

The standardized precipitation index (SPI), one of the most commonly used drought indicators, is widely used in the research areas of drought analysis and drought prediction in different fields such as meteorology, agriculture, and hydrology. However, its main disadvantage is the relatively coarse time resolution of one month. To improve the time resolution of SPI to identify flash droughts, we have refined the traditional SPI calculation method and developed a new multi-scale daily SPI dataset based on data from 484 meteorological stations in mainland China from 1961 to 2018. SPI data from three different sites (located in Henan, Yunnan, and Fujian Provinces) at the three-month timescale were analyzed by comparing with historically recorded drought events. We found that the new multi-scale daily SPI can effectively capture drought events in different periods and locations and identify the specific start and end times of drought events. In short, our SPI dataset appears reasonable and capable of facilitating drought research in different fields.
Aluminum alloy compositions and properties extracted from a corpus of scientific manuscripts and US patents
Authors: Pfeiffer Olivia P. , Liu Haihao , Montanelli Luca , Latypov Marat I. , Sen Fatih G. , Hegadekatte Vishwanath , Olivetti Elsa A. , Homer Eric R.
Published: March 2022

Researchers continue to explore and develop aluminum alloys with new compositions and improved performance characteristics. An understanding of the current design space can help accelerate the discovery of new alloys. We present two datasets: 1) chemical composition, and 2) mechanical properties for predominantly wrought aluminum alloys. The first dataset contains 14,884 entries on aluminum alloy compositions extracted from academic literature and US patents using text processing techniques, including 550 wrought aluminum alloys which are already registered with the Aluminum Association. The second dataset contains 1,278 entries on mechanical properties for aluminum alloys, where each entry is associated with a particular wrought series designation, extracted from tables in academic literature.
Reproducible long-term cycling data of Al2O3 coated LiNi0.70Co0.15Mn0.15O2 cathodes for lithium-ion batteries
Authors: Negi Rajendra S. , Elm Matthias T.
Published: March 2022

LiNixCoyMn1-x-yO2 (NCM) based cathodes for Li-ion batteries (LIBs) are of great interest due to their higher energy density and lower costs compared to conventional LiCoO2 based cathodes. However, NCM based cathodes suffer from instabilities of the cathode-electrolyte interface resulting in faster capacity fading during long-term cycling. Different NCM compositions along with different coatings have been developed to protect the interface. However, a detailed understanding why and how coatings work is still missing. Up to now, no state-of-the-art NCM or coating material have been agreed upon yet, making it difficult to benchmark the performance of the coating material. Undefined standards complicate the use of experimentally produced data for model-based studies, which are a key element in assessing the beneficial effect of coatings. In this work, we therefore describe reproducible long-term cycling data of NCM based cathodes with and without an Al2O3 based coating. The data set is provided to be used for parameter fitting and/or as training data to encourage the simulation of the performance of LIBs in model-based approaches.
Linking genomic and epidemiologic information to advance the study of COVID-19
Authors: Wang Yiwei , Yang Jiaxin , Zhuang Xinhao , Ling Yunchao , Cao Ruifang , Xu Qingwei , Wang Peng , Xu Ping , Zhang Guoqing
Published: March 2022

The outbreak of Coronavirus Disease 2019 (COVID-19) at the end of 2019 turned into a global pandemic. To help analyze the spread and evolution of the virus, we collated and analyzed data related to the viral genome, sequence variations, and locations in temporal and spatial distribution from GISAID. Information from the Wikipedia web page and published research papers were categorized and mined to extract epidemiological data, which was then integrated with the public dataset. Genomic and epidemiological data were matched with public information, and the data quality was verified by manual curation. Finally, an online database centered on virus genomic information and epidemiological data can be freely accessible at https://www.biosino.org/kgcov/, which is helpful to identify relevant knowledge and devising epidemic prevention and control policies in collaboration with disease control personnel.
Dual role of N-doped graphene film as a cathode material for anodic organic oxidation and persulfate production and as a planar carbocatalyst for non-electrochemical persulfate activation
Authors: Yun Eun-Tae , Lee Woonghee , Ahn Yong-Yoon , Choi Jaemin , Fortner John D. , Cho Kangwoo , Hong Seungkwan , Lee Jaesang
Published: March 2022

In this study, a large-area N-doped graphene film (NG/NF) was fabricated on a nickel foam (NF) substrate via thermal chemical vapor deposition along with the flow of gaseous C2H4/NH3 mixtures.
Cruciferous vegetable consumption and multiple health outcomes: an umbrella review of 41 systematic reviews and meta-analyses of 303 observational studies
Authors: Li Yi-Zi , Yang Zhi-Yong , Gong Ting-Ting , Liu Ya-Shu , Liu Fang-Hua , Wen Zhao-Yan , Li Xin-Yu , Gao Chang , Luan Meng , Zhao Yu-Hong , Wu Qi-Jun
Published: March 2022

Epidemiological studies evaluating the associations between the consumption of cruciferous vegetables (CV) and diverse health outcomes have generated inconsistent findings.
The N-heterocyclic carbene-catalyzed [3 + 2] annulation of isoindigos with enals: the enantioselective construction of three contiguous stereogenic centers
Authors: Liu Binghao , Qi Jing , Wu Yatong , Li Jia-Hui , Li Yanting , Duan Xiao-Yong
Published: March 2022

An NHC-catalyzed enantioselective [3 + 2] annulation of enals and isoindigo is introduced as an efficient strategy for the construction of dimeric spirocyclic bisindoline alkaloid derivatives with moderate yields and good enantioselectivities.
A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph ofl-tyrosine
Authors: Smalley Christopher J. H. , Hoskyns Harriet E. , Hughes Colan E. , Johnstone Duncan N. , Willhammar Tom , Young Mark T. , Pickard Christopher J. , Logsdail Andrew J. , Midgley Paul A. , Harris Kenneth D. M.
Published: March 2022

A new polymorph ofl-tyrosine is reported, with the crystal structure determined by combined analysis of 3D-ED data and powder XRD data, augmented by information from periodic DFT-D calculations and solid-state13C NMR data.
Charge transport through single-molecule bilayer-graphene junctions with atomic thickness
Authors: Zhao Shiqiang , Deng Ze-Ying , Albalawi Shadiah , Wu Qingqing , Chen Lijue , Zhang Hewei , Zhao Xin-Jing , Hou Hao , Hou Songjun , Dong Gang , Yang Yang , Shi Jia , Lambert Colin J. , Tan Yuan-Zhi , Hong Wenjing
Published: March 2022

Charge transport through single-molecule bilayer-graphene junctions fabricated by a cross-plane break junction technique can be tuned at the atomic level.
Stereodivergent synthesis of enantioenriched azepino[3,4,5-cd]-indoles via cooperative Cu/Ir-catalyzed asymmetric allylic alkylation and intramolecular Friedel–Crafts reaction
Authors: Xiao Lu , Li Bo , Xiao Fan , Fu Cong , Wei Liang , Dang Yanfeng , Dong Xiu-Qin , Wang Chun-Jiang
Published: March 2022

A stereodivergent synthesis of azepino[3,4,5-cd]-indoles bearing three stereogenic centers was established via synergistic dual-metal catalysis followed by acid-promoted epimerization, and up to all eight stereoisomers could be predictably achieved.
A novel nano-sized red phosphorus decorated borocarbonitride heterojunction with enhanced photocatalytic performance for tetracycline degradation
Authors: Wang Yi , Zhao Xing , Wang Lan , Yang Yu , Jiao Limin , Wu Zhihao , Gao Xuan , Cheng Sheng , Lin Mingzhang
Published: March 2022

Red phosphorus/borocarbonitride heterojunction composites were prepared by a vaporization–deposition method for excellent photocatalytic activity towards tetracycline degradation.
Tuning hydrophobic composition in terpolymer-based anion exchange membranes to balance conductivity and stability
Authors: Ozawa Yoshihiro , Shirase Yuto , Otsuji Kanji , Miyatake Kenji
Published: March 2022

Terpolymer-based anion exchange membranes (AEMs) with optimized composition of the hydrophobic components (hexafluoroisopropylidene and perfluorohexylene groups) exhibit higher hydroxide ion conductivity than the parent copolymer-based AEMs.
Low-molecular-weight supramolecular adhesives based on non-covalent self-assembly of a small molecular gelator
Authors: Liang Yujia , Wang Kaifang , Li Jingjing , Zhang Yunfei , Liu Junpeng , Zhang Kaihuang , Cui Yihan , Wang Mengke , Liu Chun-Sen
Published: March 2022

We highlighted the potential of low-molecular-weight supramolecular eutectogels as robust adhesives in air, underwater, in organic solvents, and under ultra-low temperatures (−196 °C). These eutectogels represent a promising new adhesion methodology.
Experimental and theoretical study of europium-doped organometal halide perovskite nanoplatelets for UV photodetection with high responsivity and fast response
Authors: Parveen Sumaiya , Das Mandira , Ghosh Subhradip , Giri P. K.
Published: March 2022

Herein, we investigate the role of Eu3+ doping on CH3NH3PbBr3 nanoplatelets (NPLs) in terms of their optoelectronic properties and photodetection application through a combined experimental and theoretical approach.
Thioanisole ester based logic gate cascade to control ROS-triggered micellar degradation
Authors: Piergentili Irene , Bouwmans Pepijn R. , Reinalda Luuk , Lewis Reece W. , Klemm Benjamin , Liu Huanhuan , de Kruijff Robin M. , Denkova Antonia G. , Eelkema Rienk
Published: March 2022

Thioanisole ester polymer side chains hydrolyze exclusively upon thioether oxidation, showing logic gate response. ROS-induced ester hydrolysis on the hydrophobic domain leads to nanocarrier disassembly with potential for targeted drug release.
Symmetry-breaking phase transitions, dielectric and magnetic properties of pyrrolidinium-tetrahalidocobaltates
Authors: Ksiądzyna Martyna , Kinzhybalo Vasyl , Bieńko Alina , Medycki Wojciech , Jakubas Ryszard , Rajnák Cyril , Boča Roman , Ozarowski Andrew , Ozerov Mykhaylo , Piecha-Bisiorek Anna
Published: March 2022

We report the physicochemical analysis of Co-based pyrrolidinium analogues: (C4H10N)2CoCl4 and (C4H10N)2CoBr4. The results confirm that introducing mobile organic cations into an inorganic network might construct compounds with multiple properties.
A unique and discrete Ce(iii) macrocyclic complex exhibits ferroelectric, dielectric, and slow relaxation of magnetization properties
Authors: Wasim Mohd , Ansari Kamal Uddin , Kumar Pardeep , Mallick Binit , Shanmugam Maheswaran
Published: March 2022

A [Ce(L1)(NO3)3] (1) was found to exhibit ferroelectric and magnetic bistability simultaneously. The ferroelectric to paraelectric transition was observed at 303 K and a small external electric field was required to switch the spontaneous polarization in 1.
A nano-catalyst promoting endogenous NO production to enhance chemotherapy efficacy by vascular normalization
Authors: Wang Xiaohui , Feng Xiaoyue , Sun Mengjie , Wang Mingzhu , Wang Wei , Yuan Zhi
Published: March 2022

An amazing nanoplatform (CuMSN-PAA) was utilized to specifically normalize tumor vessels and significantly improve the chemotherapy effect.
Water facilitated photolysis of perfluoroalkyl iodidesviahalogen bonding
Authors: Fang Chang-Zhen , Zhang Bei-Bei , Li Baolin , Wang Zhi-Xiang , Chen Xiang-Yu
Published: March 2022

A strategy for the efficient water facilitated photolysis of perfluoroalkyl iodide has been established for the synthesis of various perfluoroalkylated products.
Copper catalyzed dearomatization by Michael-type addition of indolyl ynones: divergent synthesis of functionalized spiroindoles and cyclopenta[c]quinolin-3-ones
Authors: Ru Guang-Xin , Zhang Meng , Zhang Ting-Ting , Jiang Xiao-Lei , Gao Guang-Qin , Zhu Xiu-Hong , Wang Shun , Fan Cai-Ling , Li Xiao , Shen Wen-Bo
Published: March 2022

Described herein is a copper-catalyzed multifunctionalization of indolyl ynones, allowing the synthesis of dihalogen-substituted spiroindoles. This Cu catalysis is also applicable to the synthesis of cyclopenta[c]quinolin-3-ones via decarbonylation.
Integrated scheduling of hot rolling production planning and power demand response considering order constraints and TOU price
Authors: Gong Feixiang , Chen Songsong , Tian Shiming , Qin Jian , Zhang Haijing , Sun Beibei , Yuan Jindou , Jiang Linru , Xu Yuting , Wang Yong
Published: March 2022

When participating in demand response, the industrial adjustable load has the advantages of large capacity, high benefit, and easy management compared with commercial and residential loads. However, the stage of the production process is strongly coupled with the power consumption process, especially in the steel industry. Here, a multi‐objective optimization model for the optimal scheduling of hot rolling load considering the actual production operation conditions was proposed, the model was abstracted into a vehicle routing problem (VRP) ,which is a typical combinatorial optimization problem .To minimize the cost of electricity and the risk of delivery order default, this paper considered the jump penalty value between adjacent slabs simultaneously, constructed an integrated scheduling model of hot rolling shop scheduling and power demand response, and designed a multi‐objective production scheduling algorithm based on NSGA‐II to solve the problem. The results showed that the proposed method can realize the reasonable distribution of production load under the constraints of electricity price and production.
Optimisation of practically constrained waveforms for Rician target detection with multiple‐input‐multiple‐output radar
Authors: Wang Xuyang , Tang Bo , Zhang Ming
Published: March 2022

In this paper, the waveform design for Rician target detection with multiple‐input‐multiple‐output radar is addressed. The relative entropy between the distributions of the observations under two hypotheses is employed as the design metric. Due to the difficulty of tackling the non‐convex waveform design problem, a novel algorithm based on minorisation‐maximisation is developed. Since a simple quadratic function is established to minorise the objective function, the presented algorithm has lower computational complexity than its counterparts. Moreover, it can be extended to design waveforms under many practical constraints, including the constant‐envelope constraint, the similarity constraint, and the constant‐envelope and similarity constraints. Numerical results are provided to show the effectiveness of the proposed algorithm for detecting Rician targets. Moreover, the designed waveforms can be used to enhance the detection performance of a Swerling 0 target in the presence of angle mismatch.
Identification and validation of a seven‐gene prognostic marker in colon cancer based on single‐cell transcriptome analysis
Authors: Zhou Yang , Guo Yang , Wang Yuanhe
Published: March 2022

Colon cancer (CC) is one of the most commonly diagnosed tumours worldwide. Single‐cell RNA sequencing (scRNA‐seq) can accurately reflect the heterogeneity within and between tumour cells and identify important genes associated with cancer development and growth. In this study, scRNA‐seq was used to identify reliable prognostic biomarkers in CC. ScRNA‐seq data of CC before and after 5‐fluorouracil treatment were first downloaded from the Gene Expression Omnibus database. The data were pre‐processed, and dimensionality reduction was performed using principal component analysis and t‐distributed stochastic neighbour embedding algorithms. Additionally, the transcriptome data, somatic variant data, and clinical reports of patients with CC were obtained from The Cancer Genome Atlas database. Seven key genes were identified using Cox regression analysis and the least absolute shrinkage and selection operator method to establish signatures associated with CC prognoses. The identified signatures were validated on independent datasets, and somatic mutations and potential oncogenic pathways were further explored. Based on these features, gene signatures, and other clinical variables, a more effective predictive model nomogram for patients with CC was constructed, and a decision curve analysis was performed to assess the utility of the nomogram. A prognostic signature consisting of seven prognostic‐related genes, including CAV2, EREG, NGFRAP1, WBSCR22, SPINT2, CCDC28A, and BCL10, was constructed and validated. The proficiency and credibility of the signature were verified in both internal and external datasets, and the results showed that the seven‐gene signature could effectively predict the prognosis of patients with CC under various clinical conditions. A nomogram was then constructed based on features such as the RiskScore, patients' age, neoplasm stage, and tumor (T), nodes (N), and metastases (M) classification, and the nomogram had good clinical utility. Higher RiskScores were associated with a higher tumour mutational burden, which was confirmed to be a prognostic risk factor. Gene set enrichment analysis showed that high‐score groups were enriched in ‘cytoplasmic DNA sensing’, ‘Extracellular matrix receptor interactions’, and ‘focal adhesion’, and low‐score groups were enriched in ‘natural killer cell‐mediated cytotoxicity’, and ‘T‐cell receptor signalling pathways’, among other pathways. A robust seven‐gene marker for CC was identified based on scRNA‐seq data and was validated in multiple independent cohort studies. These findings provide a new potential marker to predict the prognosis of patients with CC.