bluuebunny/crossref_metadata_2025 huggingface dataset:
Altermagnetic lifting of Kramers spin degeneracy
Authors: Krempaský J. , Šmejkal L. , D’Souza S. W. , Hajlaoui M. , Springholz G. , Uhlířová K. , Alarab F. , Constantinou P. C. , Strocov V. , Usanov D. , Pudelko W. R. , González-Hernández R. , Birk Hellenes A. , Jansa Z. , Reichlová H. , Šobáň Z. , Gonzalez Betancourt R. D. , Wadley P. , Sinova J. , Kriegner D. , Minár J. , Dil J. H. , Jungwirth T.
Published: February 2024

Lifted Kramers spin degeneracy (LKSD) has been among the central topics of condensed-matter physics since the dawn of the band theory of solids1,2. It underpins established practical applications as well as current frontier research, ranging from magnetic-memory technology3–7 to topological quantum matter8–14. Traditionally, LKSD has been considered to originate from two possible internal symmetry-breaking mechanisms. The first refers to time-reversal symmetry breaking by magnetization of ferromagnets and tends to be strong because of the non-relativistic exchange origin15. The second applies to crystals with broken inversion symmetry and tends to be comparatively weaker, as it originates from the relativistic spin–orbit coupling (SOC)16–19. A recent theory work based on spin-symmetry classification has identified an unconventional magnetic phase, dubbed altermagnetic20,21, that allows for LKSD without net magnetization and inversion-symmetry breaking. Here we provide the confirmation using photoemission spectroscopy and ab initio calculations. We identify two distinct unconventional mechanisms of LKSD generated by the altermagnetic phase of centrosymmetric MnTe with vanishing net magnetization20–23. Our observation of the altermagnetic LKSD can have broad consequences in magnetism. It motivates exploration and exploitation of the unconventional nature of this magnetic phase in an extended family of materials, ranging from insulators and semiconductors to metals and superconductors20,21, that have been either identified recently or perceived for many decades as conventional antiferromagnets21,24,25.
Carotenoid cleavage enzymes evolved convergently to generate the visual chromophore
Authors: Solano Yasmeen J. , Everett Michael P. , Dang Kelly S. , Abueg Jude , Kiser Philip D.
Published: February 2024

The retinal light response in animals originates from the photoisomerization of an opsin-coupled 11-cis-retinaldehyde chromophore. This visual chromophore is enzymatically produced through the action of carotenoid cleavage dioxygenases. Vertebrates require two carotenoid cleavage dioxygenases, β-carotene oxygenase 1 and retinal pigment epithelium 65 (RPE65), to form 11-cis-retinaldehyde from carotenoid substrates, whereas invertebrates such as insects use a single enzyme known as Neither Inactivation Nor Afterpotential B (NinaB). RPE65 and NinaB couple trans–cis isomerization with hydrolysis and oxygenation, respectively, but the mechanistic relationship of their isomerase activities remains unknown. Here we report the structure of NinaB, revealing details of its active site architecture and mode of membrane binding. Structure-guided mutagenesis studies identify a residue cluster deep within the NinaB substrate-binding cleft that controls its isomerization activity. Our data demonstrate that isomerization activity is mediated by distinct active site regions in NinaB and RPE65—an evolutionary convergence that deepens our understanding of visual system diversity.
Water footprints and crop water use of 175 individual crops for 1990–2019 simulated with a global crop model
Authors: Mialyk Oleksandr , Schyns Joep F. , Booij Martijn J. , Su Han , Hogeboom Rick J. , Berger Markus
Published: February 2024

The water footprint of a crop (WF) is a common metric for assessing agricultural water consumption and productivity. To provide an update and methodological enhancement of existing WF datasets, we apply a global process-based crop model to quantify consumptive WFs of 175 individual crops at a 5 arcminute resolution over the 1990–2019 period. This model simulates the daily crop growth and vertical water balance considering local environmental conditions, crop characteristics, and farm management. We partition WFs into green (water from precipitation) and blue (from irrigation or capillary rise), and differentiate between rainfed and irrigated production systems. The outputs include gridded datasets and national averages for unit water footprints (expressed in m3 t−1 yr−1), water footprints of production (m3 yr−1), and crop water use (mm yr−1). We compare our estimates to other global studies covering different historical periods and methodological approaches. Provided outputs can offer insights into spatial and temporal patterns of agricultural water consumption and serve as inputs for further virtual water trade studies, life cycle and water footprint assessments.
County-scale dataset indicating the effects of disasters on crops in Taiwan from 2003 to 2022
Authors: Su Yuan-Chih , Shen Yuan , Wu Chun-Yi , Kuo Bo-Jein
Published: February 2024

A lack of crop disaster datasets has limited the exploration of the influence of small-scale disasters on crops. Because disasters are often defined on the basis of human impact, disaster databases may underestimate the effect of disasters on crop production. Additionally, the resolution of such databases is insufficient for evaluating the effects of disasters on small areas. In this study, crop disaster and daily weather datasets covering the period from 2003 to 2022 in Taiwan were developed. Total 9,245 damage records from 233 observations of crop disasters were mined from the Report on Crop Production Loss Caused by Disasters of Taiwan. Daily weather data were collected from weather stations. Entire crop disaster information including multiple disasters, crops, and affected regions was stored in crop disaster dataset. All datasets were cleaned up and refined to enhance their quality, and characteristics such as disaster and crop classification were added to enhance the applicability of these datasets. These datasets can be used to determine the relationship between disaster type and crop production losses.
Apela promotes blood vessel regeneration and remodeling in zebrafish
Authors: Nys Nicolas , Khatib Abdel-Majid , Siegfried Geraldine
Published: February 2024

In contrast to adult mammals, zebrafish display a high capacity to heal injuries and repair damage to various organs. One of the earliest responses to injury in adult zebrafish is revascularization, followed by tissue morphogenesis. Tissue vascularization entails the formation of a blood vessel plexus that remodels into arteries and veins. The mechanisms that coordinate these processes during vessel regeneration are poorly understood. Hence, investigating and identifying the factors that promote revascularization and vessel remodeling have great therapeutic potential. Here, we revealed that fin vessel remodeling critically depends on Apela peptide. We found that Apela selectively accumulated in newly formed zebrafish fin tissue and vessels. The temporal expression of Apela, Apln, and their receptor Aplnr is different during the regenerative process. While morpholino-mediated knockdown of Apela (Mo-Apela) prevented vessel remodeling, exogenous Apela peptide mediated plexus repression and the development of arteries in regenerated fins. In contrast, Apela enhanced subintestinal venous plexus formation (SIVP). The use of sunitinib completely inhibited vascular plexus formation in zebrafish, which was not prevented by exogenous application. Furthermore, Apela regulates the expression of vessel remolding-related genes including VWF, IGFPB3, ESM1, VEGFR2, Apln, and Aplnr, thereby linking Apela to the vascular plexus factor network as generated by the STRING online database. Together, our findings reveal a new role for Apela in vessel regeneration and remodeling in fin zebrafish and provide a framework for further understanding the cellular and molecular mechanisms involved in vessel regeneration.
A novel immune-related gene signature for diagnosis and potential immunotherapy of microsatellite stable endometrial carcinoma
Authors: Xiao Yunyun , Yu XiaoChuan , Wang Yaping , Song Guangyao , Liu Ming , Wang Daqing , Wang Huali
Published: February 2024

An immune-related gene signature (IRGS) was established to better understand the molecular and immunologic characteristics of microsatellite instable (MSI) and microsatellite stable (MSS) endometrial carcinoma (EC), and provide potential immunotherapy directions for MSS patients. Top 20 immune-related hub genes were screened by weight gene coexpression network analysis (WGCNA), and an IRGS was further established through Cox regression analysis. The molecular and immune characteristics were clarified in IRGS high and low risk groups. Expression and MS status validation of the IRGS were conducted through quantitative real-time Polymerase Chain Reaction (rt-qPCR) and immunohistochemistry (IHC) analysis. The IRGS includes 2 oncogenes (AGTR1 and HTR3C) and 2 tumor suppressor genes (CD3E and SERPIND1). Patients in IRGS high-risk group were more with MSS status, higher tumor grade, later FIGO stage, serous histology and elder ages compared with IRGS low-risk group (P < 0.05). Besides, patients in MSS group were more FIGO stages II–IV (42.7% vs. 26%), serous histology (35.7% vs. 5.3%) and with higher IRGS risk score (1.51 ± 3.11 vs. 1.02 ± 0.67) (P < 0.05) than patients in MSI group. Furthermore, patients in IRGS high-risk group had higher tumor purity, more Macrophages M1 and Macrophages M2 infiltrating, higher proportion of Macrophages M2 and Dendritic cells activated, lower proportion of T cells regulatory (Tregs), lower tumor mutation burden (TMB). Correspondingly, subjects in IRGS low-risk group had higher immunphenoscores than IRGS high-risk group. The relative mRNA level of AGTR1 and HTR3C were gradually increase, while CD3E and SERPIND1 were reversed in rt-qPCR. Through IHC experiments, AGTR1(69.2% vs 30%, P = 0.074) and HTR3C (76.9% vs 30%, P = 0.024) had higher positive staining rates in ECs than non-ECs. While SERPIND1 (84.6% vs 20%, P = 0.003) and CD3E (61.5% vs 40%, P = 0.000) had higher positive staining rates in non-ECs. IRGS is a potential diagnostic and prognostic biomarker for EC. IRGS low risk group might benefit from immune checkpoint inhibitors, while IRGS high risk group deserve other potential immunotherapy.
Child–Pugh grade deterioration stratified by the etiology after transcatheter arterial chemoembolization as initial treatment for hepatocellular carcinoma
Authors: Yoshitomi Kengo , Hayashi Tsuguru , Oe Shinji , Shibata Michihiko , Honma Yuichi , Harada Masaru , Kooka Yohei
Published: February 2024

Transcatheter arterial chemoembolization (TACE) is a standard treatment for intermediate-stage hepatocellular carcinoma (HCC). However, TACE can cause deterioration of liver functions. We aimed to identify the factors that influence deterioration of liver function after TACE. We retrospectively analyzed 262 patients who underwent TACE as initial treatment for HCC with Child–Pugh grade A. We divided them into three groups stratified by the etiology of underlying liver disease. Patients were classified into hepatitis B virus (HBV) group, hepatitis C virus (HCV) group, and non-HBV / non-HCV (NBNC) group. Liver functions at one month after TACE and time to Child–Pugh grade B or C were compared between the three groups. The HBV, HCV and NBNC groups contained 23, 123 and 116 patients, respectively. The decline in albumin level after TACE was significantly higher in NBNC group than other groups (p = 0.02). NBNC group showed a shorter time to Child–Pugh grade deterioration compared with HBV group and HCV group (p < 0.001). Multivariate Cox regression analysis showed that NBNC group was a significant factor for Child–Pugh grade deterioration (Hazard ratio 3.74, 95% confidence interval 1.89–7.40, p < 0.001). These results revealed that liver functions worsened most remarkably in NBNC group after TACE.
Dietary acid load and cirrhosis-related mortality: a prospective cohort study
Authors: Pashayee-Khamene Fereshteh , Heidari Zeinab , Fotros Danial , Hekmatdoost Azita , Karimi Sara , Ahmadzadeh Saleheh , Saberifiroozi Mehdi , Hatami Behzad , Yari Zahra
Published: February 2024

As a global health concern, cirrhosis contributes significantly to morbidity and mortality. This prospective cohort study aimed to investigate the association between dietary acid load (DAL) and cirrhosis-related mortality. Present study was conducted on 121 patients with newly diagnosed cirrhosis who were followed up for 48 months. Anthropometric measures, nutritional status and dietary intakes were assessed and DAL was estimated based on potential renal acid load (PRAL) and net endogenous acid production (NEAP) scores. Crude and multivariable-adjusted hazard ratios (HR) with 95% confidence intervals (CI) were estimated using Cox proportional hazard analyses. Participants in the high PRAL and NEAP scores had significantly higher intakes of grains and lower intakes of fruits and vegetables. Also, the intake of dairy products and legumes, nuts and seeds decreased significantly with increasing NEAP score. After adjustment of all the confounders, the risk of mortality in the second and third tertiles of PRAL was 5.9 times and 10.97 higher than those in the first tertile, respectively (P trend: 0.006). Similarly, comparing the risk of mortality in the second and third tertiles with the first tertile of NEAP showed a 4.46-fold and 12.3-fold increased risk, respectively (P trend: 0.010). Our findings suggested that DAL was significantly associated with cirrhosis-related mortality and highlight the need for further research to understand the underlying mechanisms and establish optimal DAL levels in cirrhotic patients.
Neutrophil-to-lymphocyte ratio is associated with sarcopenia risk in overweight maintenance hemodialysis patients
Authors: Nie Huibin , Liu Yan , Zeng Xiaoyan , Chen Min
Published: February 2024

Neutrophil-to-lymphocyte ratio (NLR), a novel inflammatory marker, is strongly associated with the risk of sarcopenia. Notably, being overweight has been found to accelerate the loss of skeletal muscle mass and function in chronic kidney disease (CKD) patients. However, the effect of overweight status on the relationship between NLR and sarcopenia risk has been poorly studied. We conducted a cross-sectional study at a hemodialysis center in Chengdu, China, from September to December 2022. The prevalence of sarcopenia was determined according to the Asian Working Group for Sarcopenia (AWGS). Participants were stratified based on body mass index (BMI) categories for the Asian population (non-overweight < 23 kg/m2 and overweight ≥ 23 kg/m2). 272 participants aged 18–85 years were included, with 144 being male. The overall prevalence of sarcopenia was 32.72% (89/272). After adjusting for covariates, NLR was significantly associated with sarcopenia risk in overweight participants (OR 1.60, 95% CI 1.15–2.24, p = 0.006), whereas it was not significant in the non-overweight group (OR 0.88, 95% CI 0.70–1.10, p = 0.254). Moreover, subgroup analysis showed a significant interactive association between NLR and overweight status with respect to sarcopenia. These findings emphasize the potential significance of regular screening of NLR for the early detection of sarcopenia in overweight patients undergoing maintenance hemodialysis.
Pathway for a martensitic quartz–coesite transition
Authors: Schaffrinna Tim , Milman Victor , Winkler Björn
Published: February 2024

An atomistic pathway for a strain-induced subsolidus martensitic transition between quartz and coesite was found by computing the set of the smallest atomic displacements required to transform a quartz structure into a coesite structure. A minimal transformation cell with 24 $${\hbox {SiO}_{2}}$$

SiO
2

formula units is sufficient to describe the diffusionless martensitic transition from quartz to coesite. We identified two families of invariant shear planes during the martensitic transition, near the {10$${\bar{1}}$$

1

¯

1} and {12$${\bar{3}}$$

3

¯

2} set of planes, in agreement with the orientation of planar defect structures observed in quartz samples which experienced hypervelocity impacts. We calculated the reaction barrier using density functional theory and found that the barrier of 150 meV/atom is pressure invariant from ambient pressure up to 5 GPa, while the mean principal stress limiting the stability of strained quartz is $$\approx$$
≈
2 GPa. The model calculations quantitatively confirm that coesite can be formed in strained quartz at pressures significantly below the hydrostatic equilibrium transition pressure.
Protracted molecular dynamics and secondary structure introspection to identify dual-target inhibitors of Nipah virus exerting approved small molecules repurposing
Authors: Yang Siyun , Kar Supratik
Published: February 2024

Nipah virus (NiV), with its significantly higher mortality rate compared to COVID-19, presents a looming threat as a potential next pandemic, particularly if constant mutations of NiV increase its transmissibility and transmission. Considering the importance of preventing the facilitation of the virus entry into host cells averting the process of assembly forming the viral envelope, and encapsulating the nucleocapsid, it is crucial to take the Nipah attachment glycoprotein-human ephrin-B2 and matrix protein as dual targets. Repurposing approved small molecules in drug development is a strategic choice, as it leverages molecules with known safety profiles, accelerating the path to finding effective treatments against NiV. The approved small molecules from DrugBank were used for repurposing and were subjected to extra precision docking followed by absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling. The 4 best molecules were selected for 500 ns molecular dynamics (MD) simulation followed by Molecular mechanics with generalized Born and surface area solvation (MM-GBSA). Further, the free energy landscape, the principal component analysis followed by the defined secondary structure of proteins analysis were introspected. The inclusive analysis proposed that Iotrolan (DB09487) and Iodixanol (DB01249) are effective dual inhibitors, while Rutin (DB01698) and Lactitol (DB12942) were found to actively target the matrix protein only.
Spatial and economic quantification of provisioning service by eelgrass beds in Lake Notoro, Hokkaido, Japan
Authors: Ito Keizo , Sonoki Shiori , Minami Kenji , Chiba Susumu , Shirakawa Hokuto , Kawajiri Toshifumi , Zhu Yanhui , Miyashita Kazushi
Published: February 2024

Eelgrass beds provide a habitat for many high-value fishery resources, and provisioning services, one of the ecosystem services, need to be quantified. However, few examples have been evaluated spatially. We determined the distribution of eelgrass beds in Lake Notoro, a marine lagoon in Hokkaido, Japan, and quantified the provisioning services by the eelgrass beds in relation to Pandalus latirostris, a fishery resource. Acoustic measurement surveys of the eelgrass beds and catch surveys of the shrimp were conducted in July and August 2015. The relationship between catch per unit effort (CPUE) of shrimp and the distribution of eelgrass beds was shown. The estimated distribution area of eelgrass beds was 7.07 km2. Shrimp was frequently caught at water depths of 3–5 m, approximately 200 m from the edge of the eelgrass beds. The expected catch of shrimp in the fishing area of Lake Notoro in 2015 was 25.37 tons and US$ 463.6 thousand. Eelgrass beds were found to affect the fisheries production not only on the inside but also at the edge and outside. The entire coastal space should be evaluated, while considering the effect of the distribution of eelgrass beds, to quantify the provisioning services.
Protein function prediction as approximate semantic entailment
Authors: Kulmanov Maxat , Guzmán-Vega Francisco J. , Duek Roggli Paula , Lane Lydie , Arold Stefan T. , Hoehndorf Robert
Published: February 2024

The Gene Ontology (GO) is a formal, axiomatic theory with over 100,000 axioms that describe the molecular functions, biological processes and cellular locations of proteins in three subontologies. Predicting the functions of proteins using the GO requires both learning and reasoning capabilities in order to maintain consistency and exploit the background knowledge in the GO. Many methods have been developed to automatically predict protein functions, but effectively exploiting all the axioms in the GO for knowledge-enhanced learning has remained a challenge. We have developed DeepGO-SE, a method that predicts GO functions from protein sequences using a pretrained large language model. DeepGO-SE generates multiple approximate models of GO, and a neural network predicts the truth values of statements about protein functions in these approximate models. We aggregate the truth values over multiple models so that DeepGO-SE approximates semantic entailment when predicting protein functions. We show, using several benchmarks, that the approach effectively exploits background knowledge in the GO and improves protein function prediction compared to state-of-the-art methods.
Automatic design of stigmergy-based behaviours for robot swarms
Authors: Salman Muhammad , Garzón Ramos David , Birattari Mauro
Published: February 2024

Stigmergy is a form of indirect communication and coordination in which individuals influence their peers by modifying the environment in various ways, including rearranging objects in space and releasing chemicals. For example, some ant species lay pheromone trails to efficiently navigate between food sources and nests. Besides being used by social animals, stigmergy has also inspired the development of algorithms for combinatorial optimisation and multi-robot systems. In swarm robotics, collective behaviours based on stigmergy have always been designed manually, which is time consuming, costly, hardly repeatable, and depends on the expertise of the designer. Here, we show that stigmergy-based behaviours can be produced via automatic design: an optimisation process based on simulations generates collective behaviours for a group of robots that can lay and sense artificial pheromones. The results of our experiments indicate that the collective behaviours designed automatically are as good as—and in some cases better than—those produced manually. By taking advantage of pheromone-based stigmergy, the automatic design process generated collective behaviours that exhibit spatial organisation, memory, and communication.
Magnonic combinatorial memory
Authors: Balinskyy Mykhaylo , Khitun Alexander
Published: February 2024

In this work, we consider a type of magnetic memory where information is encoded into the mutual arrangement of magnets. The device is an active ring circuit comprising magnetic and electric parts connected in series. The electric part includes a broadband amplifier, phase shifters, and attenuators. The magnetic part is a mesh of magnonic waveguides with magnets placed on the waveguide junctions. There are amplitude and phase conditions for auto-oscillations to occur in the active ring circuit. The frequency(s) of the auto-oscillation and spin wave propagation path(s) in the magnetic part depends on the mutual arrangement of magnets in the mesh. The propagation path is detected with a set of power sensors. The correlation between circuit parameters and spin wave path is the basis of memory operation. The combination of input/output switches connecting electric and magnetic parts and electric phase shifters constitute the memory address. The output of the power sensors is the memory state. We present experimental data on the proof-of-the-concept experiments on the prototype with three magnets placed on top of a single-crystal yttrium iron garnet Y3Fe2(FeO4)3 (YIG) film. There are three selected places for the magnets to be placed. There is a variety of spin wave propagation paths for each configuration of magnets. The results demonstrate a robust operation with an On/Off ratio for path detection exceeding 35 dB at room temperature. The number of possible magnet arrangements scales factorially with the size of the magnetic part. The number of possible paths per one configuration scales factorial as well. It makes it possible to drastically increase the data storage density compared to conventional memory devices. Magnonic combinatorial memory with an array of 100 × 100 magnets can store all information generated by humankind. Physical limits and constraints are also discussed.
Diallel panel reveals a significant impact of low-frequency genetic variants on gene expression variation in yeast
Authors: Tsouris Andreas , Brach Gauthier , Friedrich Anne , Hou Jing , Schacherer Joseph
Published: February 2024

Unraveling the genetic sources of gene expression variation is essential to better understand the origins of phenotypic diversity in natural populations. Genome-wide association studies identified thousands of variants involved in gene expression variation, however, variants detected only explain part of the heritability. In fact, variants such as low-frequency and structural variants (SVs) are poorly captured in association studies. To assess the impact of these variants on gene expression variation, we explored a half-diallel panel composed of 323 hybrids originated from pairwise crosses of 26 natural Saccharomyces cerevisiae isolates. Using short- and long-read sequencing strategies, we established an exhaustive catalog of single nucleotide polymorphisms (SNPs) and SVs for this panel. Combining this dataset with the transcriptomes of all hybrids, we comprehensively mapped SNPs and SVs associated with gene expression variation. While SVs impact gene expression variation, SNPs exhibit a higher effect size with an overrepresentation of low-frequency variants compared to common ones. These results reinforce the importance of dissecting the heritability of complex traits with a comprehensive catalog of genetic variants at the population level.
Metal–organic framework heterojunctions for photocatalysis
Authors: Dhakshinamoorthy Amarajothi , Li Zhaohui , Yang Sihai , Garcia Hermenegildo
Published: February 2024

The present review summarizes the current state-of-the-art in MOF-based heterojunctions in three important photocatalytic processes: hydrogen evolution reaction, CO2 photoreduction and photodegradation of dyes.
Strategies for designing biocatalysts with new functions
Authors: Bell Elizabeth L. , Hutton Amy E. , Burke Ashleigh J. , O’Connell Adam , Barry Amber , O’Reilly Elaine , Green Anthony P.
Published: February 2024

Enzymes can be optimized to accelerate chemical transformations via a range of methods. In this review, we showcase how protein engineering and computational design techniques can be interfaced to develop highly efficient and selective biocatalysts.
Models Matter: the impact of single-step retrosynthesis on synthesis planning
Authors: Torren-Peraire Paula , Hassen Alan Kai , Genheden Samuel , Verhoeven Jonas , Clevert Djork-Arné , Preuss Mike , Tetko Igor V.
Published: February 2024

Synthesis planning relies on retrosynthesis models, yet this relationship is under-analyzed. We investigate the effect of contemporary single-step models trained on public and proprietary reaction data to analyze the synthesis routes produced.
A robust protonic ceramic fuel cell with a triple conducting oxygen electrode under accelerated stress tests
Authors: Zheng Shuanglin , Bian Wenjuan , Ding Hanping
Published: February 2024

Accelerated stress test of protonic ceramic fuel cells for evaluating the durability of materials and interfaces.
Pancreatic cancer environment: from patient-derived models to single-cell omics
Authors: Gu Ao , Li Jiatong , Qiu Shimei , Hao Shenglin , Yue Zhu-Ying , Zhai Shuyang , Li Meng-Yao , Liu Yingbin
Published: February 2024

This review initially presents relevant patient-derived models, including PDXs, PDOs, and PDEs. Subsequently, a comprehensive summary of single-cell analyses conducted on these models is provided.
Deriving kinetic insights from mechanochemically synthesized compounds using multivariate analysis (MCR-ALS) of powder X-ray diffraction data
Authors: Macchietti Laura , Casali Lucia , Emmerling Franziska , Braga Dario , Grepioni Fabrizia
Published: February 2024

Application of MCR-ALS method on PXRD data from ex situ and in situ experiments, to study the kinetics of the co-crystallization of theophylline and malonic acid via mechanochemistry.
Diverse metastable diarylacetonitrile radicals generated by polymer mechanochemistry
Authors: Yamamoto Takumi , Aoki Daisuke , Mikami Koichiro , Otsuka Hideyuki
Published: February 2024

Diverse diarylacetonitrile radicals were generated by polymeric mechanochemical reactions. Fluorescence wavelengths could be tuned by changing the substituents on the aromatic rings of the generated radicals.
“What makes every work perfect is cooking and grinding”: the ancient roots of mechanochemistry
Authors: Marchini Marianna , Montanari Giacomo , Casali Lucia , Martelli Matteo , Raggetti Lucia , Baláž Matej , Baláž Peter , Maini Lucia
Published: February 2024

The chemical replication of ancient recipes shed light on the importance of grinding in the old times, emphasizing the crucial role of this process in the transformation of matter.
Ultra-thin proton conducting carrier layers for scalable integration of atomically thin 2D materials with proton exchange polymers for next-generation PEMs
Authors: Moehring Nicole K. , Naclerio Andrew E. , Chaturvedi Pavan , Knight Thomas , Kidambi Piran R.
Published: February 2024

Scalable approaches for synthesis and integration of proton selective atomically thin 2D materials with proton conducting polymers can enable next-generation proton exchange membranes with minimal crossover while retaining adequate proton conductance.
Photoswitchable imines: aryliminopyrazoles quantitatively convert to long-lived Z-isomers with visible light
Authors: Wu Jiarong , Kreimendahl Lasse , Tao Suyuan , Anhalt Olga , Greenfield Jake L.
Published: February 2024

Simple structural modifications significantly boost the photochromic performance of imine-based photoswitches. This work lays a foundation for exploring new motifs in light-addressable dynamic combinatorial chemistry.
Site-directed cation ordering in chabazite-type AlxGa1−xPO4-34 frameworks revealed by NMR crystallography
Authors: Dawson Daniel M. , Clayton Jasmine A. , Marshall Thomas H. D. , Guillou Nathalie , Walton Richard I. , Ashbrook Sharon E.
Published: February 2024

NMR crystallography exposes preferential site ordering of Al and Ga in new mixed-metal phosphate frameworks.
Dual-view transport of intensity phase imaging devices for quantitative phase microscopy applications
Authors: Wang Shouyu , Huang Huachuan , Sun Aihui , Zhu Lin , Guo Wei , Yan Keding , Xue Liang
Published: February 2024

Because phase has significantly higher contrast than amplitude, particularly for label-free specimens, and provides a new perspective for morphology and shape testing, quantitative phase microscopy has become an effective means in optical imaging and testing.
Magnetophoresis of paramagnetic metal ions in porous media
Authors: Rassolov Peter , Ali Jamel , Siegrist Theo , Humayun Munir , Mohammadigoushki Hadi
Published: February 2024

We report a numerical investigation of the magnetophoresis of solutions containing paramagnetic metal ions.
Rapid determination of beta-agonists in pig urine using surface-enhanced Raman spectroscopy
Authors: Li Zhicheng , Pan Shaoxiang
Published: February 2024

The plot of SERS intensity against beta-agonist concentration is shown the Raman scattering intensity has a linear relationship with the concentration of the sample to be measured under certain conditions.
Carbon monoxide as an indicator of indoor air quality
Authors: Salthammer Tunga
Published: February 2024

Carbon monoxide is a priority pollutant that is suitable as an indicator for assessing indoor air quality. Monitoring should preferably be embedded in an intelligent network of different sensors.
Expression of concern: Microchip-based structure determination of low-molecular weight proteins using cryo-electron microscopy
Authors: Casasanta Michael A. , Jonaid G. M. , Kaylor Liam , Luqiu William Y. , Solares Maria J. , Schroen Mariah L. , Dearnaley William J. , Wilson Jarad , Dukes Madeline J. , Kelly Deborah F.
Published: February 2024

Expression of concern for ‘Microchip-based structure determination of low-molecular weight proteins using cryo-electron microscopy’ by Michael A. Casasanta et al., Nanoscale, 2021, 13, 7285–7293, https://doi.org/10.1039/D1NR00388G.
π-Expanded azaullazines: synthesis of quinolino-azaullazines by Povarov reaction and cycloisomerisation
Authors: Polkaehn Jonas , Thom Richard , Ehlers Peter , Villinger Alexander , Langer Peter
Published: February 2024

Quinolino-azaullazines were prepared by combination of Pd catalyzed cross-coupling with Povarov and cycloisomerisation reactions. They show intramolecular charge transfer properties that can be tuned by the substitution pattern.
Total synthesis of 14-membered ring β-resorcylic acid lactone (+)-monocillin II
Authors: Kokaji Naoki , Ishikura Naru , Matsuzawa Akinobu , Kamo Shogo , Sugita Kazuyuki
Published: February 2024

The total synthesis of β-resorcylic acid lactone (+)-monocillin II was achieved via the Mitsunobu reaction and other key reactions.
Autoregressive modelling for Sub‐THz spatio‐temporal wideband scattered reflection coefficient measurement of complex structures
Authors: Serghiou Demos , Khalily Mohsen , Ali Ali , Brown Tim , Tafazolli Rahim
Published: February 2024

The authors present spatio‐temporally resolved wideband measurements of Sub‐Terahertz (Sub‐THz) reflection coefficients in the frequency range of 92–110 GHz. A stochastic model for single reflection fixed links that is capable of modelling random scattering from small‐scale discontinuities such as those encountered in complex structures in walls and partitions of buildings is presented. The model auto‐regressively produces filter coefficients that are fed into an Infinite‐Impulse‐Response (IIR) filter which convolves them with the spatio‐temporal series in order to generate the next output sample based on previous observations. The IIR filter allows for flexible stochastic generation of samples, and its parameters can be adjusted as needed to suit different channel conditions. A total of 20 suitable start‐up filter coefficients are generated from 21.7 % of the sample size for each complex delay tap distribution, which corresponds to 50 complex instances of the channel. These coefficients are then utilised to validate the remaining measured sample set. The model is in quantitative agreement with measurement statistics and can be used to construct relatively simple modified reflection coefficients that can be used in micro‐cellular ray‐optical network planning tools.
FAUST
Authors: Vastel C. , Sakai T. , Ceccarelli C. , Jiménez-Serra I. , Alves F. , Balucani N. , Bianchi E. , Bouvier M. , Caselli P. , Chandler C. J. , Charnley S. , Codella C. , De Simone M. , Dulieu F. , Evans L. , Fontani F. , Lefloch B. , Loinard L. , Menard F. , Podio L. , Sabatini G. , Sakai N. , Yamamoto S.
Published: February 2024

Aims. Interstellar complex organic molecules (iCOMs) are species commonly found in the interstellar medium. They are believed to be crucial seed species for the build-up of chemical complexity in star forming regions as well as our own Solar System. Thus, understanding how their abundances evolve during the star formation process and whether it enriches the emerging planetary system is of paramount importance.

Methods. We use data from the ALMA Large Program FAUST (Fifty AU STudy of the chemistry in the disk and envelope system of solar protostars) to study the compact line emission towards the [BHB2007] 11 proto-binary system (sources A and B), where a complex structure of filaments connecting the two sources with a larger circumbinary disk has previously been detected. More than 45 methyl formate (CH3OCHO) lines are clearly detected with upper energies in the [123, 366] K range, as well as 8 dimethyl ether transitions (CH3OCH3) in the [93, 191] K range, 1 ketene transition (H2CCO) and 4 formic acid transitions (t-HCOOH). We compute the abundance ratios with respect to CH3OH for CH3OCHO, CH3OCH3, H2CCO, t-HCOOH (as well as an upper limit for CH3CHO) through a radiative transfer analysis. We also report the upper limits on the column densities of nitrogen bearing iCOMs, N(C2H5CN) and N(C2H3CN).

Results. The emission from the detected iCOMs and their precursors is compact and encompasses both protostars, which are separated by only 0.2″ (~28 au). The integrated intensities tend to align with the Southern filament, revealed by the high spatial resolution observations of the dust emission at 1.3 mm. A Position-Velocity and 2D analysis are performed on the strongest and uncontaminated CH3OCH3 transition and show three different spatial and velocity regions, two of them being close to 11B (Southern filament) and the third one near 11A.

Conclusions. All our observations suggest that the detected methanol, as well as the other iCOMs, are generated by the shocked gas from the incoming filaments streaming towards [BHB2007] 11A and 11B, respectively, making this source one of the few where chemical enrichment of the gas caused by the streaming material is observed.
Ubiquitous broad-line emission and the relation between ionized gas outflows and Lyman continuum escape in Green Pea galaxies
Authors: Amorín R. O. , Rodríguez-Henríquez M. , Fernández V. , Vílchez J. M. , Marques-Chaves R. , Schaerer D. , Izotov Y. I. , Firpo V. , Guseva N. , Jaskot A. E. , Komarova L. , Muñoz-Vergara D. , Oey M. S. , Bait O. , Carr C. , Chisholm J. , Ferguson H. , Flury S. R. , Giavalisco M. , Hayes M. J. , Henry A. , Ji Z. , King W. , Leclercq F. , Östlin G. , Pentericci L. , Saldana-Lopez A. , Thuan T. X. , Trebitsch M. , Wang B. , Worseck G. , Xu X.
Published: February 2024

We report observational evidence of highly turbulent ionized gas kinematics in a sample of 20 Lyman continuum (LyC) emitters (LCEs) at low redshift (z ∼ 0.3). Detailed Gaussian modeling of optical emission line profiles in high-dispersion spectra consistently shows that both bright recombination and collisionally excited lines can be fitted as one or two narrow components with intrinsic velocity dispersion of σ ∼ 40 − 100 km s−1, in addition to a broader component with σ ∼ 100 − 300 km s−1, which contributes up to ∼40% of the total flux and is preferentially blueshifted from the systemic velocity. We interpret the narrow emission as highly ionized gas close to the young massive star clusters and the broader emission as a signpost of unresolved ionized outflows, resulting from massive stars and supernova feedback. We find a significant correlation between the width of the broad emission and the LyC escape fraction, with strong LCEs exhibiting more complex and broader line profiles than galaxies with weaker or undetected LyC emission. We provide new observational evidence supporting predictions from models and simulations; our findings suggest that gas turbulence and outflows resulting from strong radiative and mechanical feedback play a key role in clearing channels through which LyC photons escape from galaxies. We propose that the detection of blueshifted broad emission in the nebular lines of compact extreme emission-line galaxies can provide a new indirect diagnostic of Lyman photon escape, which could be useful to identify potential LyC leakers in the epoch of reionization with the JWST.
Study on The Durability of Self - Luminous Magnesium Phosphate Cement in Low Temperature Climate Building Exterior Wall
Authors: Xian Ning , Chen Qian
Published: February 2024

Self-luminous magnesium phosphate cement is a new material that combines long-afterglow luminescent material with magnesium phosphate cement. This paper studies the performance of self-luminous magnesium phosphate cement material through experiments, so as to expand the applicability of this material to exterior walls of buildings in a cold climate. The experiment indicates that the Self-luminous magnesium phosphate cement has excellent corrosion resistance, impermeability, and salt-freeze resistance in a cold climate. It can be used as a new kind of beautiful, energy-saving and environment-friendly exterior wall paving material.
Thermal Insulation Performance of Roof Forms in Rural Residential Houses in Western China
Authors: Xiao Qiubo , Liu Yu , Cho Seigen , He Yong , Cao Maoqing
Published: February 2024

The thermal insulation performance of the roofs in rural residential buildings in western China was discussed in this paper. A type of residential building that had been extensively constructed in the southern Shaanxi region was selected as the basic model to compare and analyse the thermal insulation performance of different roof forms under natural and heating conditions. The flat roof, sloping roof and sloping roof combined with a flat roof (SF roof) were used by residents. The results showed that the SF roof had better energy-saving performance compared to the other two types of roofs. Further discussion showed that the air layer of the SF roof was the reason for its better thermal insulation performance. In natural conditions, the insulation performance of the air layer accounts for more than 50% of the overall effect. Increasing the height of the air layer will enhance the insulation performance of the SF roof, but it is necessary to balance the performance improvement and cost increase.
Structural behavior of concrete-filled steel tubular (CFST) with spherical cap gap subjected to corrosion and long-term tensile loading
Authors: Tang Simin , Yang Yuxing , Liao Feiyu
Published: February 2024

Concrete-filled steel tubes (CFSTs) are commonly used as structural specimens in construction. Gaps between the steel tube and enclosed concrete core can form during manufacture or repair procedures. This study developed a computational model to investigate the structural implications of spherical cap gaps in CFSTs subjected to sustained axial tension and chloride-induced corrosion. Finite element analysis (FEA) incorporated appropriate material constitutive laws and elements. Model predictions closely matched experiments for load-displacement response and ultimate capacity. Parametric comparisons between gap and no-gap geometries quantified performance impacts, including reduced stiffness, deteriorated load transfer, internal force redistribution, and diminished flexibility stemming from localized steel tube buckling adjacent to the unrestrained gap. Outcomes highlight the importance of quality control during CFST production and repair to minimize defects like uncoupled zones between the concrete infill and hollow tube. The validated simulation approach provides an efficient tool for exploring gap influences and informing structural design provisions.
Study on the pollution level and source analysis of aldehydes and ketones in indoor environment based on HPLC platform
Authors: Wang Xiaoxu , Qian Mingyuan , Yan Bin
Published: February 2024

The pollution level of aldehydes and ketones in indoor air, floor, coating, and furniture samples was analyzed by using high-performance liquid chromatography(HPLC). The study showed that 30 rooms were detected with different concentrations of aldehydes and ketones, with an average value of 0.432 mg/m3, mainly including formaldehyde, acetaldehyde, and acrolein/acetone. The average concentrations of aldehydes and ketones in floor, furniture and coating samples were 0.648 mg/m3, 0.590 mg/m3 and 0.341 mg/m3, respectively. Factor analysis and multiple linear regression analysis were used to determine that the contribution rate of aldehydes and ketones pollution caused by floor, coating and furniture samples accounted for 75.4% of indoor pollution. The least square method was used to fit the concentrations of aldehydes and ketones in indoor air and corresponding decorated materials in 10 rooms. The results showed that the pollution of aldehydes and ketones in these 10 rooms was mainly caused by coating, as well as floor and furniture materials dominated by wood products.
Impact of Urbanization on Global and Regional Humid Heat and Population Humid Heat Exposure
Authors: Xu Jiawei
Published: February 2024

Extreme heat events pose great threats to public health and socioeconomic development, particularly in cities where the urban heat island (UHI) effect can exacerbate heat stress. The heat stress can be assessed by various heat indexes that vary in their weightings of air temperature and humidity. Utilizing the data from a global climate model, this study investigates the spatiotemporal pattern of the urban humid heat island measured by wet-bulb temperature (Tw), Humidex, and Heat Index (HI) and assesses its effect on the number of heat stressed days and the population humid heat exposure. Different heat indexes generate distinct spatiotemporal patterns of urban humid heat island and result in various number of additional heat-stressed days in cities, with the largest disparities observed in arid regions. The urban effect decreases the number of heat-stressed days in arid climate by 0.5 days when measured by Tw but Humidex and HI show an increase. This discrepancy arises from the differing reliance of these indexes on air temperature and humidity, with wet-bulb temperature exhibiting a greater dependence on humidity and HI showing the greatest sensitivity to air temperature. After accounting for the urbanization effect, the global population exposure to humid heat measured by Tw, Humidex, and HI increase by 11.2%, 46.4%, 72.1%, respectively. We highlight that it is crucial to exercise caution when interpreting assessment of humid heat using different heat indexes due to disparities in their spatial patterns of the urban humid heat island.
Appropriateness Evaluation and Impact Factor Identification of Dongting Lake Under the Concept of “three living”
Authors: Wang Zeqi , Li Fangying , Zhang Bingcheng , Xue Jiahui , Fu Yeting , Zeng Yanfang
Published: February 2024

The "three living" space is an important guideline for the rational optimization of national land space in China. In the process of implementing the project of returning fields to lakes to solve the shrinking surface of Dongting Lake and the various ecological problems arising from it, livelihood issues such as land use conflicts have emerged. In order to balance the relationship between people and lake under the policy, the paper starts from the "three living" space, and evaluates the appropriateness of the Dongting Lake by constructing the index system of the "three living" functional space of the Dongting Lake and combining Arcgis 10.7 software to superimpose the index factors to evaluate the spatial function of the Dongting Lake. The spatial variability of the index factors is also analyzed by geographic probes to reveal the suitability characteristics of the returned land to the lake. Based on the results of the study, it can reduce the conflict of land use in the return of Dongting Lake, avoid the loss of production and living caused by the return of land to the lake to the greatest extent, and enhance the ecological benefits of the return of land to the lake, provide a reference for the implementation of the Dongting Lake return of land to the lake project.