bluuebunny/crossref_metadata_2025 huggingface dataset:
Cosmic rays linked to rapid mid-latitude cloud changes
Authors: Laken B. A. , Kniveton D. R. , Frogley M. R.
Published: August 2010

Abstract. The effect of the Galactic Cosmic Ray (GCR) flux on Earth's climate is highly uncertain. Using a novel sampling approach based around observing periods of significant cloud changes, a statistically robust relationship is identified between the rate of GCR flux and the most rapid mid-latitude (60°–30° N/S) cloud decreases operating over daily timescales; this signal is verified in surface level air temperature (SLAT) reanalysis data. A General Circulation Model experiment is used to test the causal relationship of the observed cloud changes to the detected SLAT anomalies. Results indicate that the cloud anomalies were responsible for producing the observed SLAT changes, implying a link between significant decreases in the rate of GCR flux (~0.79%/day (relative to the peak-to-peak amplitude of 11-yr solar cycle)), decreases in cloud cover (~1.9%/day) and increases in SLAT (~0.05 K/day). The influence of GCRs is clearly distinguishable from changes in solar irradiance and the interplanetary magnetic field. These results provide the most compelling evidence presented thus far of a GCR-climate relationship. From this analysis we conclude: (i) a GCR-climate relationship is governed by both the rate of GCR flux and internal precursor conditions; and (ii) it is likely that this natural forcing has not contributed significantly to recent anthropogenic temperature rises.
Airborne observation of aerosol optical depth during ARCTAS: vertical profiles, inter-comparison, fine-mode fraction and horizontal variability
Authors: Shinozuka Y. , Redemann J. , Livingston J. M. , Russell P. B. , Clarke A. D. , Howell S. G. , Freitag S. , O'Neill N. T. , Reid E. A. , Johnson R. , Ramachandran S. , McNaughton C. S. , Kapustin V. N. , Brekhovskikh V. , Holben B. N. , McArthur L. J. B.
Published: August 2010

Abstract. We describe aerosol optical depth (AOD) measured during the Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) experiment, conducted in North America in April and June–July 2008, focusing on vertical profiles, inter-comparison with correlative observations, fine-mode fraction and horizontal variability. The AOD spectra spanning 354–2139 nm measured with the 14-channel Ames Airborne Tracking Sunphotometer (AATS-14) are generally less wavelength-dependent below 2 km (499-nm Angstrom exponent 1.4 ± 0.3) than in 2–4 km (1.6–1.8) for Alaska in April 2008. Together with concurrent aerosol mass spectrometry and black carbon incandescence measurements, this corroborates the hypothesis that Arctic haze in these layers originates mainly from anthropogenic emission and biomass burning, respectively. The spectra are within 3%+0.02 of the vertical integral of local visible-light scattering and absorption for two thirds of the 55 vertical profiles examined. The horizontal structure of smoke plumes in central Canada in June and July 2008 explains most outliers. The differences in mid-visible Angstrom exponent are <0.10 for 63% of the profiles with 499-nm AOD>0.1. The retrieved fine-mode fraction of AOD is mostly between 0.7 and 1.0, and its root mean square difference from column-integral submicron fraction (measured with nephelometers, absorption photometers and an impactor) is 0.12. These AOD measurements from the NASA P-3 aircraft, after compensation for below-aircraft light attenuation by vertical extrapolation, mostly fall within 0.02 of AERONET ground-based measurements for five overpass events. Evidently, the fresh local emission in Canada in June and July makes the horizontal distribution of AOD highly heterogeneous (standard deviation ~19% of the mean over 20 km) and random (autocorrelation r=0.37 across 20 km), in contrast to long-range transport to Alaska in April (std~2%, r=0.95). The variability observed over 6 km is noticeably smaller (std~9%, r=0.71). The decrease represents the reduction in collocation error that remote sensing can potentially achieve by improving resolution for ARCTAS Canada and similar environments.
Inferring absorbing organic carbon content from AERONET data
Authors: Arola A. , Schuster G. , Myhre G. , Kazadzis S. , Dey S. , Tripathi S. N.
Published: August 2010

Abstract. Black carbon, light-absorbing organic carbon (often called "brown carbon") and mineral dust are the major light-absorbing aerosols. Currently the sources and formation of brown carbon aerosol in particular are not well understood. In this study we estimated globally the amount of light-absorbing organic carbon and black carbon from AERONET measurements. We find that the columnar absorbing organic carbon (brown carbon) levels in biomass burning regions of South-America and Africa are relatively high (about 15–20 mg/m2 during biomass burning season), while the concentrations are significantly lower in urban areas in US and Europe. However, we estimated significant absorbing organic carbon amounts from the data of megacities of newly industrialized countries, particularly in India and China, showing also clear seasonality with peak values up to 30–35 mg/m2 during the coldest season, likely caused by the coal and biofuel burning used for heating. We also compared our retrievals with the modeled organic carbon by global Oslo CTM for several sites. Model values are higher in biomass burning regions than AERONET-based retrievals, while opposite is true in urban areas in India and China.
Storm-induced coastal hazard assessment at regional scale: application to Catalonia (NW Mediterranean)
Authors: Bosom E. , Jiménez J. A.
Published: August 2010

Abstract. A methodology for coastal hazard assessment at regional scale is presented and applied to the Catalan coast (NW Mediterranean). The method separately evaluates erosion and inundation hazards by using wave time series and beach characteristics (slope and sediment grain size). Obtained hazard time series are fitted to extreme probability distributions for different coastal sectors which are defined in function of local wave climate. This approach allows to compare the spatial variation of hazard intensities for a given probability of occurrence and, thus, to objectively identify the most hazardous areas along the coast in terms of erosion and inundation. Obtained results indicate that the coast north of Barcelona is more hazardous than the southern coast regarding inundation for any given probability. With respect to storm-induced erosion, the central coast of Catalonia is the less hazardous area, although spatial variations in erosion along the coast are smaller than the observed for inundation.
Describing the possible climate changes in France and some examples of their effects on main crops used in livestock systems
Authors: Ruget F. , Moreau J.-C. , Ferrand M. , Poisson S. , Gate P. , Lacroix B. , Lorgeou J. , Cloppet E. , Souverain F.
Published: August 2010

Abstract. The effects of climate change on forage and crop production are an important question for the farmers and more largely for the food security in the world. Estimating the effect of climate change on agricultural production needs the use of two types of tools: a model to estimate changes in national or local climates and an other model using climatic data to estimate the effects on vegetation. In this paper, we will mainly present the effects of climate change on climatic features, the variability of criteria influencing crop production in various regions of France and some possible effects on crops.
Breast Cancer Risk After Bariatric Surgery and Influence of Insulin Levels
Authors: Kristensson Felipe M. , Andersson-Assarsson Johanna C. , Peltonen Markku , Jacobson Peter , Ahlin Sofie , Svensson Per-Arne , Sjöholm Kajsa , Carlsson Lena M. S. , Taube Magdalena
Published: May 2024

Importance

Obesity and insulin are risk factors for breast cancer, and retrospective studies suggest bariatric surgery reduces breast cancer risk in women. However, long-term prospective data on breast cancer risk after bariatric surgery and the role of baseline insulin levels are lacking.

Objective

To examine if bariatric surgery is associated with breast cancer incidence in women and if treatment benefit is modified by baseline insulin levels.

Design, Setting, and Participants

The Swedish Obese Subjects (SOS) study was a nonrandomized intervention trial designed to investigate the long-term effects of bariatric surgery on obesity-related mortality and morbidity. Study recruitment took place between 1987 and 2001, and median (IQR) follow-up time was 23.9 years (20.1-27.1) years. The study was conducted at 25 public surgical departments and 480 primary health care centers in Sweden and included 2867 women aged 37 to 60 years and with body mass index 38 or greater (calculated as weight in kilograms divided by height in meters squared).

Intervention

In the surgery group (n = 1420), 260 women underwent gastric banding, 970 vertical banded gastroplasty, and 190 gastric bypass. The remaining contemporaneously matched control individuals (n = 1447) received usual obesity care.

Main Outcome and Measures

Breast cancer, the main outcome of this secondary report, was not a predefined outcome in the SOS study. Breast cancer events were identified in the Swedish National Cancer Registry.

Results

The study population comprised 2867 women with a mean (SD) age of 48.0 (6.2) years. During follow-up, there were 154 breast cancer events, 66 in the surgery group and 88 in the usual care group, and a decreased risk of breast cancer was observed in the bariatric surgery group (hazard ratio [HR], 0.68; 95% CI, 0.49–0.94; P = .019; adjusted HR, 0.72; 95% CI, 0.52-1.01; P = .06). The surgical treatment benefit on breast cancer risk was greater in women with baseline insulin levels above the median 15.8 μIU/L (HR, 0.48; 95% CI, 0.31-0.74; P = .001; adjusted HR, 0.55; 95% CI, 0.35-0.86; P = .008) compared to those below (HR, 0.95; 95% CI, 0.59-1.53; P = .84; adjusted HR, 1.01; 95% CI, 0.61-1.66; P = .97; interaction P = .02).

Conclusions and Relevance

This prospective clinical trial indicated a reduced risk of breast cancer after bariatric surgery in women with obesity. The surgical treatment benefit was predominantly seen in women with hyperinsulinemia.

Trial Registration

ClinicalTrials.gov Identifier: NCT01479452
High‐Pressure Synthesis of Ultra‐Incompressible, Hard and Superconducting Tungsten Nitrides
Authors: Liang Akun , Osmond Israel , Krach Georg , Shi Lan‐Ting , Brüning Lukas , Ranieri Umbertoluca , Spender James , Tasnadi Ferenc , Massani Bernhard , Stevens Callum R. , McWilliams Ryan Stewart , Bright Eleanor Lawrence , Giordano Nico , Gallego‐Parra Samuel , Yin Yuqing , Aslandukov Andrey , Akbar Fariia Iasmin , Gregoryanz Eugene , Huxley Andrew , Peña‐Alvarez Miriam , Si Jian‐Guo , Schnick Wolfgang , Bykov Maxim , Trybel Florian , Laniel Dominique
Published: May 2024

Transition metal nitrides, particularly those of 5d metals, are known for their outstanding properties, often relevant for industrial applications. Among these metal elements, tungsten is especially attractive given its low cost. In this high‐pressure investigation of the W–N system, two novel ultra‐incompressible tungsten nitride superconductors, namely W2N3 and W3N5, are successfully synthesized at 35 and 56 GPa, respectively, through a direct reaction between N2 and W in laser‐heated diamond anvil cells. Their crystal structure is determined using synchrotron single‐crystal X‐ray diffraction. While the W2N3 solid's sole constituting nitrogen species are N3‐ units, W3N5 features both discrete N3‐ as well as N24‐ pernitride anions. The bulk modulus of W2N3 and W3N5 is experimentally determined to be 380(3) and 406(7) GPa, and their ultra‐incompressible behavior is rationalized by their constituting WN7 polyhedra and their linkages. Importantly, both W2N3 and W3N5 are recoverable to ambient conditions and stable in air. Density functional theory calculations reveal W2N3 and W3N5 to have a Vickers hardness of 30 and 34 GPa, and superconducting transition temperatures at ambient pressure (50 GPa) of 11.6 K (9.8 K) and 9.4 K (7.2 K), respectively. Additionally, transport measurements performed at 50 GPa on W2N3 corroborate with the calculations.
Emerging Thermochromic Perovskite Materials: Insights into Fundamentals, Recent Advances and Applications
Authors: Liu Yiming , Lv Wenxuan , Feng Jizhe , Tian Junwei , Wang Ping , Xu Ligang , Long Yi , Yao Lin
Published: May 2024

Thermochromic perovskite materials exhibit reversible color changes in response to external thermal stimuli. Recently recognized as promising candidates, significant efforts are dedicated to developing these materials with tunable properties, rapid response, and effective light modulation. This review demonstrates recent advances in fabrication methods, mechanism investigation, solar modulation performance, and diverse applications of perovskite thermochromic materials. Thin films and single crystals are addressed separately, with a focus on achieving high‐quality and stable thermochromic perovskite materials across different dimensional architectures. Furthermore, the article outlines current challenges and provides forward‐looking perspectives, aiming to foster future innovative research and widespread application in smart windows, switchable photovoltaic devices, photo/thermal detectors, and anti‐counterfeiting technologies.
Structure‐Foldable and Performance‐Tailorable PI Paper‐Based Triboelectric Nanogenerators Processed and Controlled by Laser‐Induced Graphene
Authors: Yang Weixiong , Han Mingguang , Liu Fu , Wang Dan , Gao Yan , Wang Guantao , Ding Xilun , Luo Sida
Published: May 2024

Laser‐induced graphene (LIG) technology has provided a new manufacturing strategy for the rapid and scalable assembling of triboelectric nanogenerators (TENG). However, current LIG‐based TENG commonly rely on polymer films, e.g., polyimide (PI) as both friction material and carbon precursor of electrodes, which limit the structural diversity and performance escalation due to its incapability of folding and creasing. Using specialized PI paper composed of randomly distributed PI fibers to substantially enhance its foldability, this work creates a new type of TENG, which are structurally foldable and stackable, and performance tailorable. First, by systematically investigating the laser power‐regulated performance of single‐unit TENG, the open‐circuit voltage can be effectively improved. By further exploiting the folding process, multiple TENG units can be assembled together to form multi‐layered structures to continuously expand the open‐circuit voltage from 5.3 to 34.4 V cm−2, as the increase of friction units from 1 to 16. Last, by fully utilizing the unique structure and performance, representative energy‐harvesting and smart‐sensing applications are demonstrated, including a smart shoe to recognize running motions and power LEDs, a smart leaf to power a thermometer by wind, a matrix sensor to recognize writing trajectories, as well as a smart glove to recognize different objects.
Geographic and psychosocial correlates of homelessness or unstable housing among US veterans in the Midwest
Authors: Umucu Emre , Lee Beatrice , Chang Chi , Szymkowiak Dorota , Tsai Jack
Published: May 2024

The purpose of this study was to explore (1) the prevalence of physical and mental health conditions among veterans stratified by homelessness and unstable housing (HUH) in several Midwestern states, and (2) the correlation between HUH and sociodemographic, military, financial, risky behavior, health, and geographical characteristics. The study cohort consisted of 7260 HUH veterans and stably housed veterans in 2018–2022 in Veterans Integrated Service Network (VISN) 23. A multivariate logistic regression analysis was performed which revealed the strongest associations with HUH were any incarceration experience (adjusted odds ratio [AOR] = 0.21) and rural location (AOR = 0.33). Frontier and remote location scores (AOR = 1.23) were associated with increased risk of HUH among veterans. Our results suggest potential differences in risk for HUH among veterans living in rural versus frontier and remote locations, which may be important to consider to provide care to the many veterans in these areas.
The influence of perceived stress and motivation on telomere length among NCAA swimmers
Authors: Nanda Anamika , Logan Alvin , Tennyson Robert L.
Published: May 2024

Introduction

Telomere length (TL) shortening is associated with increased cellular senescence and functional decline with age. Regular physical activity is posited to safeguard against TL shortening, but there is disagreement on how concurrent psychosocial stress may influence this relationship. The current analysis explored whether psychosocial stress is associated with TL differences in highly physically active individuals.

Methods

TL was measured from capillary dried blood spots collected from Division‐I (D‐1) and Division‐III (D‐3) National Collegiate Athletics Association (NCAA) swimmers (N = 28) and non‐athlete students from the same schools (N = 15). All participants completed Cohen's Perceived Stress Scale (PSS) and student‐athletes completed an additional questionnaire to assess psychosocial factors associated with their lifestyle; The Student Athletes' Motivation towards Sports and Academics Questionnaire (SAMSAQ). Semi‐structured interviews further contextualized how student‐athletes internalize their stress.

Results

There was no significant difference in TL or PSS scores between swimmers and controls. D‐1 swimmers reported significantly higher career and student‐athlete motivation scores compared to D‐3, but non‐significantly higher PSS and similar academic motivation scores. Themes from interviews with collegiate swimmers included COVID‐19 stress, fear of injury, pressure from academics, expectations to perform, and financial pressures.

Conclusions

These themes may have contributed to higher PSS scores in D‐1 swimmers compared to D‐3 but did not appear to impact their TL. Given differences in perceived stress, sources of stress, and SAMSAQ scores, further analyses with larger sample sizes are needed to better understand how these factors influence human biology and health while engaged in intense physical activity.
Sulfanilamide and 2‐hydroxy acetophenone driven Schiff base metal complex synthesizing, identification, and promising bioactivity
Authors: Abu‐Khadra Ahmad S. , Basry Aboelhagag A. , Abdel Reheim Mohamed A. M. , Ellakwa Takwa E. , Alshehri Sarah A. , Afify Ahmed S. , AbuelHassan Sawsan M.
Published: May 2024

It has been possible to create complexes of metals from the Schiff base ((E)‐4‐(2‐hydroxy‐1‐phenylethylideneamino) benzenesulfonamide) (Sn.HA), which is generated from sulfanilamide and 2‐hydroxy acetophenone. These substances have been identified using various physicochemical methods, featuring mass spectral analysis, melting point, (inductively coupled plasma mass spectrometry [ICP‐MS]), Proton nuclear magnetic resonance (1H NMR), Fourier transform infrared (FTIR) spectroscopy, ultraviolet (UV) spectroscopy, elemental analysis, conductance measurements, electron spin resonance (ESR), and magnetic susceptibility. Most complexes are non‐electrolytes, according to the determined molar conductance values. Spectroscopic analyses indicate coordination of the majority of complexes by 2 C=N groups and 2 (OH) phenolic groups of ligand in a 2 L:1 M molar ratio in a consistent octahedral configuration [L2‐M‐(H2O)2], (L) Schiff base ligand (Sn.HA) and (M) metal, bacteria Gram‐negative (Pseudomonas aeruginosa and Escherichia coli), bacteria Gram‐positive (Streptococcus pneumonia and Bacillus subtilis), and antifungal (Candida albicans and Aspergillus fumigatus) have all been tested on complexes to check the activity of antibacterial and antifungal, with the metal complexes showing promising activity, where the unbound ligand is less active than the metal complexes.
A new Ag‐based photocatalyst for efficient degradation of antibiotic nitrofurantoin
Authors: Liu Yichen , Zhou Changxin , Xiang Ruifang , Xiong Dingqi , Li Duqingcuo , Qin Tianrui , Dong Xiuyan , Muddassir Mohd. , Pan Ying
Published: May 2024

In this paper, a new 0D Ag(I)‐based coordination polymer [Ag2(dib)(H2L)2](1) is proposed as a photocatalyst for the photocatalytic degradation of nitrofurantoin (NFT) under ultraviolet irradiation. The catalytic 1 was analyzed by various methods such as PXRD, SEM, FT‐IR, TGA, UV–vis, DRS, and electrochemical tests. The experimental result shows that 1 is an n‐type semiconductor, which can effectively catalyze the photodegradation of NFT under ultraviolet irradiation. Under the optimal reaction conditions, the photodegradation rate of NFT was 97.95% within 60 min when the concentration of NFT was 30 ppm. The experiment of free radical capture shows that O2˙− is the main active substance for photodecomposition, and the possible mechanism of 1 catalytic degradation of NFT is proposed. This research will lay the foundation for Ag(I)‐based coordination polymers in the field of antibiotic photocatalytic degradation.
Feasibility study on the production of low melt flow rate recycled polypropylene from postconsumer waste
Authors: Geier Jutta , Barretta Chiara , Hinczica Jessica , Haar Bernd , Bredács Márton , Witschnigg Andreas , Mayrbäurl Erwin , Oreski Gernot
Published: May 2024

Polypropylene (PP) recyclates face limitations in their use due to lower qualities compared with virgin PP, resulting from contaminations and the mixing of different PP grades. In particular, their high melt flow rate (MFR) hinders their suitability for applications requiring low MFR, such as pipes. This study investigates the feasibility of producing low MFR PP recyclates from packaging waste. For this purpose, recyclates were produced exclusively from manually sorted extrusion blow molding grades and compared with a recyclate derived from a conventional PP waste stream. Different washing temperatures and recyclate production processes were used to study their effects on the properties of the recyclates. The main objective was to determine the lowest achievable MFR and the rheological, mechanical, and thermal properties of the recyclates from improved sorting. The results are intended to serve as reference points for the evaluation of future automatic sorting trials. The enhanced sorting resulted in an 80% reduction in the MFR and improved ductility, thereby extending the potential applications of the recyclate. The different washing and production processes did not have a significant effect on the investigated properties, except for a slight decrease in the MFR with hot washing and the omission of the pelletizing step.
Carbon capturing composite membranes comprising Cu‐MOF and PIM‐1
Authors: Tahir Zaman , Alomar Muneerah , Sarfraz Muhammad , Waheed Aiman , Ayub Hafiz Muhammad Uzair
Published: May 2024

Carbon capture from different CO2‐enriched sources demands the establishment of cleaner innovations to make strides in improving the existing worldwide environment. Nanoparticles of inorganic copper‐based metal–organic framework (Cu‐MOF) have been impregnated in varying loadings into an intrinsically microporous polymer (PIM‐1) to concoct mixed‐matrix membranes (MMMs) for carbon capture applications. The impacts of Cu‐MOF doping and temperatures of feed gas streams on morphology and carbon detainment capability of manufactured membranes were investigated. The carbon seizing capacity of different membranes was assessed by estimating permeabilities, selectivities, dissemination and dissolvability coefficients, facilitation proportions, and activation energies. Compared with the unfilled PIM‐1 membrane, impregnation of 30% Cu‐MOF into polymer significantly enhanced CO2 penetrability from 3740 to 6360 Barrer together with CO2/N2 and CO2/CH4 selectivity advancements from 27 to 34 and from 16 to 18, respectively. Performing gas penetration tests at elevated temperatures raised the CO2 penetrability of the membrane. The carbon seizing capability of MMMs lying over Robeson's bound signifies their potential in various cleansing operations.
Recent Advances in the Synthesis of Diarylheptanoids
Authors: Sudarshan Kasireddy , Yarlagadda Suresh , Sengupta Sagnik
Published: May 2024

In the quest for synthesizing biologically important natural products, medicinal chemists embark on an endless journey. This review focuses on the reports published towards the syntheses of diarylheptanoids, classifying them into linear, tetrahydropyran, diarylether, and biphenyl categories. The synthesis methods for each class from 2013 to 2023 are discussed, providing a comprehensive overview of the advancements in the field. Representative natural product examples are highlighted for each category. The review emphasizes the importance of diarylheptanoids in the realms of chemistry and medicine, showcasing their potential as valuable compounds for medicinal and synthetic chemists.
Sparse Group Penalties for bi‐level variable selection
Authors: Buch Gregor , Schulz Andreas , Schmidtmann Irene , Strauch Konstantin , Wild Philipp S.
Published: May 2024

Many data sets exhibit a natural group structure due to contextual similarities or high correlations of variables, such as lipid markers that are interrelated based on biochemical principles. Knowledge of such groupings can be used through bi‐level selection methods to identify relevant feature groups and highlight their predictive members. One of the best known approaches of this kind combines the classical Least Absolute Shrinkage and Selection Operator (LASSO) with the Group LASSO, resulting in the Sparse Group LASSO. We propose the Sparse Group Penalty (SGP) framework, which allows for a flexible combination of different SGL‐style shrinkage conditions. Analogous to SGL, we investigated the combination of the Smoothly Clipped Absolute Deviation (SCAD), the Minimax Concave Penalty (MCP) and the Exponential Penalty (EP) with their group versions, resulting in the Sparse Group SCAD, the Sparse Group MCP, and the novel Sparse Group EP (SGE). Those shrinkage operators provide refined control of the effect of group formation on the selection process through a tuning parameter. In simulation studies, SGPs were compared with other bi‐level selection methods (Group Bridge, composite MCP, and Group Exponential LASSO) for variable and group selection evaluated with the Matthews correlation coefficient. We demonstrated the advantages of the new SGE in identifying parsimonious models, but also identified scenarios that highlight the limitations of the approach. The performance of the techniques was further investigated in a real‐world use case for the selection of regulated lipids in a randomized clinical trial.
Ischemic insular damage and stress ulcer in patients of acute ischemic stroke
Authors: Ding Peng , Chen Guojuan , Yang Yuling , Zhang Tong , Li Wenxia , Yang Liqin , Liu Xueqing , Yu Delin , Yue Wei
Published: May 2024

Background and aims

Stress ulcer (SU) is a common complication in patients with acute ischemic stroke. The relationship of infarction location and the incidence of SU was unclear. Herein, we aim to investigate the association between ischemic insular damage and the development of SU.

Methods

Data were retrieved from the SPARK study (Effect of Cardiac Function on Short‐Term Functional Prognosis in Patients with Acute Ischemic Stroke). We included the patients who had experienced an ischemic stroke within 7 days. The diagnosis of SU was based on clinical manifestations, including hematemesis, bloody nasogastric tube aspirate, or hematochezia. Evaluation of ischemic insular damage was conducted through magnetic resonance imaging. Cyclo‐oxygenase regression analysis and Kaplan–Meier survival curves were used to assess the relationship between ischemic insular damage and the occurrence of SU.

Results

Among the 1357 patients analyzed, 110 (8.1%) developed SUs during hospitalization, with 69 (6.7%) experiencing infarctions in the anterior circulation. After adjusting for potential confounders, patients with ischemic insular damage exhibited a 2.16‐fold higher risk of developing SUs compared to those without insular damage (p = .0206). Notably, among patients with infarctions in the anterior circulation, those with insular damage had a 2.21‐fold increased risk of SUs (p = .0387). Moreover, right insular damage was associated with a higher risk of SUs compared to left insular damage or no insular damage (p for trend = .0117). Kaplan–Meier curves demonstrated early separation among groups, persisting throughout the follow‐up period (all p < .0001).

Conclusions

This study identified a significant independent correlation between ischemic insular damage, particularly on the right side, and the development of SU during hospitalization, indicating the need to consider prophylactic acid‐suppressive treatment for patients with ischemic insular damage.
Risk‐based student performance prediction model for engineering courses
Authors: Abuchar Verónica J. , Arteta Carlos A. , De La Hoz Jose L. , Vieira Camilo
Published: May 2024

High academic failure and dropout rates in engineering courses are significant worldwide concerns attributed to various factors, with academic performance being a critical variable. This article provides a methodology to estimate the performance risk of students in engineering schools. Risk analysis is a strategy to evaluate academic success, which provides a set of methods to analyze, understand, and predict student outcomes before enrolling in specific majors or challenging college courses. This article develops a methodology to estimate fragility curves for students entering an engineering course. The fragility function concept, borrowed from the earthquake engineering field, estimates the likelihood of success in a course, given relevant student metadata, such as the grade point average, thus comprehensively addressing student performance variability. A student academic success prediction model enables instructional designers to make informed decisions. For example, fragility curves can help achieve two goals: (i) assessing the population at risk for a course to take actions to improve student success rates and (ii) assessing a course's relative difficulty based on its fragility function parameters. We demonstrate this methodology through a case study comparing the relative difficulty of two engineering courses, Statics and Solid Mechanics, at a university in Colombia. Given that Statics serves as a prerequisite for Solid Mechanics, deficiencies in the former can significantly impact student performance in the latter. The case study results reveal that Solid Mechanics poses a higher risk of academic failure than Statics, underscoring the importance of a strong foundation in prerequisite courses.
Bioguided Fractionation of Phyllanthus spp.: Unveiling Anticancer Potential through Metabolomic Correlation and ADMETox Insights
Authors: Silva Maria Francilene S. , Silva Lorena Mara A. , Quintela Amanda L. , Silva Francisca Aliny N. , De Oliveira Fátima de Cássia E. , dos S. Luciano Maria Claudia , Rodrigues Tigressa Helena S. , Filho Elenilson Godoy A. , Brito Edy S. , Canuto Kirley M. , Pessoa Claudia , Zocolo Guilherme J.
Published: May 2024

Cancer remains a significant global health concern, with mortality rates steadily rising and prompting an urgent search for effective treatments. This study focuses on the medicinal properties of plants from the Phyllanthus genus, specifically Phyllanthus amarus and Phyllanthus niruri, which have shown promise in traditional medicine. Through bioguided fractionation using preparative high‐performance liquid chromatography (HPLC), bioactive compounds were isolated and identified using ultra‐performance liquid chromatography coupled to time‐of‐flight mass spectrometry (UHPLC‐QTOF‐MSE) and nuclear magnetic resonance (NMR) spectroscopy. Chemometric analyses such as principal component analysis (PCA) aided in understanding metabolite distribution. Biological assays demonstrated cytotoxic activities of specific fractions against cancer cell lines, notably the PhyN 4n fraction from P. niruri, which induced S‐phase cell cycle arrest and apoptosis in HL60 cells. These findings underscore the anticancer potential of Phyllanthus species and lay the groundwork for future drug development efforts. The study‘s integration of advanced analytical techniques, chemometrics, and biological assays provides valuable insights for harnessing natural products in the fight against cancer.
Polyhydroxylated Spirostanol Saponins from the Rhizomes of Paris dulongensis
Authors: Jia Jian‐Ke , Yang Jun , Yang Xing‐Zhi , Luo Ji‐Feng , Duan Xiao‐Yan , Yang Ying‐Li , Wan Jin‐Fu , Wang Yue‐Hu
Published: May 2024

Three new polyhydroxylated spirostanol steroidal saponins, dulongenosides B−D (2–4), along with 14 known compounds, dulongenoside A (1), padelaoside B (5), parisyunnanoside G (6), polyphyllin D (7), ophiopogonin C′ (8), formosanin C (9), dioscin (10), paris saponin VII (11), paris H (12), parisyunnanoside I (13), protodioscin (14), proprotogracillin (15), crustecdysone (16), and stigmasterol‐3‐O‐β‐d‐glucopyranoside (17), were isolated from the rhizomes of Paris dulongensis (Melanthiaceae). Their chemical structures were elucidated based on extensive analyses of NMR and MS data and acidic hydrolyses. The isolates were evaluated for their cytotoxicity to five human cancer cell lines (HL‐60, SW480, MDA‐MB‐231, A549, and A549/Taxol) and the normal human bronchial epithelial cell line BEAS‐2B by the MTS test. Compounds 7–12 and 14 showed cytotoxic activity, with IC50 values ranging from 0.20 to 4.35 μM. Proprotogracillin selectively inhibited A549 (IC50=0.58 μM) and A549/Taxol (IC50=0.74 μM) cells, with no significant cytotoxic activity against HL‐60, SW480, MDA‐MB‐231, or BEAS‐2B cells, with IC50 values greater than 40 μM.
Fluorinated Tags to Study Protein Conformation and Interactions Using 19F NMR
Authors: Hanson George S. M. , Coxon Christopher R.
Published: May 2024

The incorporation of fluorine atoms into a biomacromolecule provides a background‐free and environmentally sensitive reporter of structure, conformation and interactions using 19F NMR. There are several methods to introduce the 19F reporter – either by synthetic incorporation via solid phase peptide synthesis; by suppressing the incorporation or biosynthesis of a natural amino acid and supplementing the growth media with a fluorinated counterpart during protein expression; and by genetic code expansion to add new amino acids to the amino acid alphabet. This review aims to discuss progress in the field of introducing fluorinated handles into biomolecules for NMR studies by post‐translational bioconjugation or ‘fluorine‐tagging’. We will discuss the range of chemical tagging ‘warheads’ that have been used, explore the applications of fluorine tags, discuss ways to enhance reporter sensitivity and how the signal to noise ratios can be boosted. Finally, we consider some key challenges of the field and offer some ideas for future directions.
Development of Supercapacitors with 3D Porous Structures
Authors: Zhou Ruitao , Lam Kwok‐Ho
Published: May 2024

Invited for this issue's Front Cover is the group from K. H. (Koko) Lam (The Hong Kong Polytechnic University, University of Glasgow). The front cover picture illustrates 3D interconnected nanoporous electrodes featuring a nano‐cage structure, wrapping active materials within. This distinctive electrode design enhances contact between active materials, electrolytes, and current collectors. It also alleviates the adverse effect of volume change in active materials and elevates the mass loading of nanostructured active materials within the electrodes. Consequently, this nanostructure significantly enhances the overall electrochemical properties of the electrodes. Read the full text of the Concept at 10.1002/celc.202300618.
Development of a topic‐specific bibliographic database supporting the updates of SPIRIT 2013 and CONSORT 2010
Authors: Østengaard Lasse , Barrientos Ariel , Boutron Isabelle , Chan An‐Wen , Collins Gary , Hopewell Sally , Moher David , Nejstgaard Camilla Hansen , Schulz Kenneth F. , Speich Benjamin , Tang Evan , Tunn Ruth , Watanabe Nozomi , Xu Chenchen , Hróbjartsson Asbjørn
Published: May 2024

Introduction

An important mechanism of research waste is inadequate incorporation of, and references to, previous relevant research. Identifying references for a research manuscript can be challenging, in part due to the exponential rise in potentially relevant literature to consider. For large research projects, such as developing or updating reporting guidelines, it may be helpful to construct a supportive topic‐specific bibliographic database.

Methods

In support of updating the Standard Protocol Items: Recommendations for Interventional Trials (SPIRIT) 2013 and the CONsolidated Standards Of Reporting Trials (CONSORT) 2010, we developed the SPIRIT‐CONSORT Evidence Bibliographic database (SCEBdb): a freely available topic‐specific bibliographic database of publications providing an evidence foundation for the updates. We searched multiple sources of potential publications and tagged included ones with database‐specific keywords. For context, we also formulated 10 core considerations for constructing topic‐specific bibliographic databases and identified and described 5 illustrative other databases.

Results

As of April 2024, the SCEBdb included 846 publications. The database proved useful as a supplementary information source for our scoping review of published comments on SPIRIT 2013 and CONSORT 2010, for a supplementary Delphi process, and in the writing phase of the guidance documents. We expect that the database will be useful for future projects within the fields of clinical research methodology, bias, evidence synthesis, and randomized trials.

Conclusion

The methods involved in constructing the SCEBdb, and our suggested core considerations for topic‐specific bibliographic databases, could be helpful for researchers reflecting on whether, and how, to develop a topic‐specific bibliographic database.
Unusual Photochemistry in Aromatic Dithioimides: Quantitative Thione Reduction Promoted by Ether Solvents
Authors: Mauries Steven , Hope Taylor O. , Psutka Katie M. , Ledrew Joshua , Heer Meghan , Guillet Emma , Zand Pedram , Maly Kenneth E. , Frenette Mathieu
Published: May 2024

We report a mechanistic investigation of an aromatic dithioimide (2SS) displaying puzzling yet efficient photochemistry in ether solvents. Perplexingly, 2SS dissolved in ether solvents in a sealed and degassed vial was photochemically converted to the corresponding diimide (2OO), as determined by 1H NMR following product extraction. With no external sources of oxygen in the sample, could the oxygen in 2OO be from the ether itself? To study this unprecedented proposition, we attempt to uncover the ether's involvement in this reaction. As seen by laser‐flash photolysis, 2SS appears to first react with the solvent from its singlet excited state. Following the reaction by NMR under rigorously oxygen‐ and water‐free conditions led to the identification of a photoreductive pathway that quantitatively transformed one thione into a methylene to yield 2SH2. Subsequent oxidation of 2SH2 or irradiation of 2SS under air proved that molecular oxygen was indeed necessary to observe an oxidative pathway leading to 2OO, ruling out the initially proposed involvement of an ether oxygen. An explanation of 2SS desulfurization was further revealed through the study of solvent by‐products by GC‐MS analysis. Supported by DFT calculations, a mechanism is proposed to involve a chain reaction initiated by photochemically generated ether radical.
Reactivity of a Neutral Yttrium(III) Trimethyl Complex toward Brønsted and Lewis Acids
Authors: Mortis Alexandros , Malzacher Jonas , Maichle‐Mössmer Cäcilia , Anwander Reiner
Published: May 2024

The present study corroborates that the neutral tridentate N‐ligand 1,4,7‐trimethyl‐triazacyclononane (Me3TACN) qualifies as a versatile platform to study selective ligand exchange with rare‐earth‐metal alkyl complexes, herein [(Me3TACN)YMe3]. Treatment with Brønsted‐acidic bis(dimethylsilyl)amine, HN(SiHMe2)2, gave selectively the mono‐exchanged heteroleptic complex [(Me3TACN)YMe2{N(SiHMe2)2}]. Depending on the molecular ratio employed, the reaction of [(Me3TACN)YMe3] with AlMe3 resulted in the isolation/crystallization of [(Me3TACN)YMe2(AlMe4)] [1 : 1] or ion‐separated [(Me3TACN)YMe(AlMe4)][AlMe4] [1 : 2] and [(Me3TACN)YMe(AlMe4)][Al2Me7] [1 : 3]. Analogous reactions with the heavier group 13 methyls GaMe3 and InMe3 generated mixed methyl/tetramethylgallato complex [(Me3TACN)YMe2(GaMe4)] and ion‐separated [{(Me3TACN)YMe2}2{μ‐Me}][InMe4]. Finally, dimethylalane, HAlMe2, converted [(Me3TACN)YMe3] into heteroaluminate [(Me3TACN)Y(HAlMe3)3], representing an AlMe3‐supported, molecular yttrium trihydride complex. All compounds were investigated by single crystal X‐ray diffraction (SC‐XRD), homo‐ and heteronuclear (13C, 27Al, 89Y, 115In) NMR as well as IR spectroscopies and elemental analyses.
Recent Advances in Photochemical/Electrochemical Carboxylation of Olefins with CO2
Authors: Wang Qian , Wang Yanwei , Liu Min , Chu Ganghui , Qiu Youai
Published: May 2024

Comprehensive Summary

CO2 is an abundant, nontoxic, and renewable C1 feedstock in synthetic chemistry. Direct carboxylation of readily available olefins incorporating CO2 is regarded as a promising strategy to access high value‐added carboxylic acids as well as CO2 fixation. However, due to the thermodynamic stability and kinetic inertness of CO2 and the difficulty in controlling the regioselectivity, the carboxylation of olefins with CO2 still remains challenging. Radical‐type functionalization with olefins represented a powerful protocol and enabled the development of novel transformations in this realm. More recently, the advance of new technology, such as photoredox catalysis and the renaissance of electrochemistry in organic synthesis, offered access to unique chemical reactivities of radical precursors and provided new solutions to the functionalization of olefins. This review presents the recent advances in the radical‐type carboxylation of olefins, which has mainly been achieved through photocatalysis and electrocatalysis in the last decade. In this article, we provide a comprehensive introduction of the progress, summarize the advantages and limitations of current research, and discuss the potential outlook for further development.

Key Scientists
Standard Response Calculation of Electric Dipole Polarizability and Specific Optical Rotation Power Densities
Authors: Summa Francesco F. , Monaco Guglielmo , Zanasi Riccardo
Published: May 2024

A time‐dependent method has been developed to solve the standard response equation for the calculation of dynamic molecular property densities, endowed with the characteristic of being origin‐invariant, entirely in the atomic orbital basis at both HF and DFT level of theory. The method has been tuned in particular for the calculation of origin‐independent electric dipole polarizability density and specific rotation power density. Some demonstrations are given for the hexabenzocoronene molecule and the Tröger′s base.
Plasmon‐Mediated Organic Photoelectrochemistry Applied to Amination Reactions
Authors: Buravets Vladislav , Gorin Oleg , Burtsev Vasilii , Zabelina Anna , Zabelin Denis , Kosina Jiri , Maixner Jaroslav , Svorcik Vaclav , Kolganov Alexander A. , Pidko Evgeny A. , Lyutakov Oleksiy
Published: May 2024

Organic electrochemistry is currently experiencing an era of renaissance, which is closely related to the possibility of carrying out organic transformations under mild conditions, with high selectivity, high yields, and without the use of toxic solvents. Combination of organic electrochemistry with alternative approaches, such as photo‐chemistry was found to have great potential due to induced synergy effects. In this work, we propose for the first time utilization of plasmon triggering of enhanced and regio‐controlled organic chemical transformation performed in photoelectrochemical regime. The advantages of the proposed route is demonstrated in the model amination reaction with formation of C−N bond between pyrazole and substituted benzene derivatives. Amination was performed in photo‐electrochemical mode on the surface of plasmon active Au@Pt electrode with attention focused on the impact of plasmon triggering on the reaction efficiency and regio‐selectivity. The ability to enhance the reaction rate significantly and to tune products regio‐selectivity is demonstrated. We also performed density functional theory calculations to inquire about the reaction mechanism and potentially explain the plasmon contribution to electrochemical reaction rate and regioselectivity.
Enhanced Activity and Selectivity for Nitrogen Reduction Reaction in Electrides‐Based Heterostructures: A DFT Computational Study
Authors: Wijesingha Hetti , Wan Tsz Lok , Liu Junxian , Kou Liangzhi
Published: May 2024

Developing sustainable and efficient catalysts for ammonia synthesis from atmospheric molecular N2 under ambient conditions presents a significant 21st‐century challenge. Two‐dimensional heterostructures, particularly single‐atom catalysts (SACs) supported on two‐dimensional materials, have emerged as a promising avenue due to their remarkable catalytic activity and selectivity. Electrides, characterized by an abundance of free electrons and high surface activity, have attracted substantial attention in this context. Through density functional theory (DFT) calculations, this study proposes electride‐graphene heterostructures (EGHS) as catalysts to effectively regulate charge distribution at the catalytic center, facilitating the optimization of catalytic performance. The EGHS model addresses challenges related to excessive adsorbate binding, mitigating electron transfer compared to electride monolayer adsorption. This novel approach utilizes heterogeneous heterostructures to finely tune the catalytic site, optimizing electron input for enhanced catalysis. Based on the optimized charge transfer for N2 activation, the Cr‐doped EGHS (Cr@EGHS) exhibits a promising performance in the nitrogen reduction reaction, leading to, a relatively low limiting potential of −0.85 V and high selectivity. The hypothesis charge transfer depend on N2 activation is further supported by modulating the distance between component layers of heterostructure. These findings contribute to design principles for 2D heterostructure catalysts and offer a reference for experimental synthesis.
Stability of carboxy‐hemoglobin during storage at different temperatures
Authors: Wachsmuth Nadine B. , Bajaa Bassem , Wachsmuth Christian , Schmidt Walter F. J.
Published: May 2024

Accurate determination of carboxy‐hemoglobin (COHb%) is essential for the assessment of hemoglobin mass (Hbmass) by CO‐rebreathing. To analyze blood samples for a certain period of time after blood collection, it is necessary to know the stability of the COHb% during storage. The aim of the study was to determine the stability of COHb% at different storage temperatures over a period of up to 3 months. Twenty‐five milliliters of cubital venous blood was taken from five volunteers (three females and two males) before and after inhalation of 0.8/1.0 mL/kg carbon monoxide and stored at +20°C and +4°C for 6 days and at −70°C for 12 weeks. Within the first 6 days, the blood was analyzed daily, then weekly for 12 weeks. Additionally, Hbmass was determined in 13 endurance athletes immediately after blood collection and after storage for 3 days (eight cyclists) and 7 days (five swimmers) at +20°C or +4°C. COHb% before and after CO inhalation was 1.56 ± 0.48 and 5.86 ± 1.12%, respectively, and remained unchanged over 6 days, with no difference between storage at different temperatures. The standard deviation (STD) over time was between 0.07% and 0.12%. Similarly, storage at −70°C for 12 weeks did not change COHb%, whereas STD was 0.07%. Hbmass determined immediately and, after 3 or 7 days of storage, differed by 10 ± 7 g and 15 ± 11 g corresponding to a typical error of 0.8% and 1.1%. Blood storage at +20°C and +4°C for 6 days and at −70°C for 12 weeks does not affect COHb% and has, therefore, no influence on Hbmass assessment.