bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydrogen Bonding‐Induced Inversion and Amplification of Circularly Polarized Luminescence (CPL) in Supramolecular Assemblies of Axially Chiral Luminogens
Authors: Ghorai Sandipan , Show Soumyadip , Das Anindita
Published: February 2025

Herein, we report the self‐assembly and chiroptical properties of two axially chiral π‐conjugated luminogens, R‐NMI and S‐NMI, each equipped with two pyridyl moieties for hydrogen (H)‐bonding with chiral diacids. The two enantiomers display aggregation‐induced emission enhancement (AIEE) and increased CD and CPL signals in the self‐assembled state with a high glum value of 1.5 (±0.06)×10−2 in 1:9 dioxane:methylcyclohexane. Crystallographic analysis confirmed mirror‐image helical structures for R‐NMI and S‐NMI involving both intra‐ and intermolecular π‐π stacking, leading to elongated hexagonal platelets. Supramolecular co‐assembly of R‐NMI with D‐ and L‐tartaric acids (D‐TA and L‐TA) could remarkably modulate and invert the chiroptical properties of R‐NMI, which is unachievable with control chiral monoacids. The co‐assembled structures were driven by pyridine‐carboxylic acid H‐bonding as revealed from the crystal structure analysis, which was also supported by computational studies. Strikingly, R‐NMI+D‐TA leads to an exceptionally high fourfold amplification in the glum value [5.4 (±0.04)×10−2] with an inverted sign, which additionally demonstrates intriguing temperature‐dependent switching. In contrast, R‐NMI+L‐TA results in a threefold reduction in the glum value [0.54 (±0.015)×10−3], also with an inverted sign compared to R‐NMI alone, establishing a clear strategy for chiral discrimination between the two enantiomers of TA.
“Self‐Catalysis” Acceleration of Carrier Transport in One‐Dimensional Covalent Organic Frameworks with Mortise‐Tenon Stacking
Authors: Zhang Zhe , Liu Yuxin , Qi Yuhang , Yu Zhuochen , Chen Xiao‐bo , Li Chunguang , Shi Zhan , Feng Shouhua
Published: February 2025

Covalent Organic Frameworks (COFs) are promising in the field of photonic energy conversion. However, most efforts have been concentrated on the design of ligand geometric structures and chemical bonding relationships, while understanding the impact of stacking methods on photonic energy conversion remains a significant challenge. In this work, four COFs (1D‐COF, 1D‐MeCOF, 1D‐tBuCOF and 2D‐COF) with the same main‐chain structure but different stacking methods are designed and synthesized, using photocatalytic hydrogen evolution as a model reaction. Mortise‐tenon stacked 1D‐MeCOF exhibits far superior photocatalytic hydrogen evolution performance to other stacking methods, and it maintains high efficiency and stability in natural seawater systems. Extensive characterization demonstrates that such a unique mortise‐tenon stacking structure of 1D‐MeCOF inhibits interchain slippage, enhances π‐stacking, and maximizing light absorption capabilities. Furthermore, unidirectional carrier transport characteristics of one‐dimensional structure can generate a strong photo‐induced self‐built electric field, which acts as “self‐catalysis” to accelerate carrier transport. This work provides an effective design strategy and mechanistic insights on the stacking engineering of photonic energy conversion materials.
Mapping the Catalytic Cycle of Ru‐Catalyzed Ammonia Oxidation
Authors: Yuan Bowei , Tripodi Guilherme L. , Derks M.T.G.M. , Pereverzev Aleksandr Y. , Zhou Shaodong , Roithová Jana
Published: February 2025

This study presents a mechanism of ammonia oxidation catalyzed by [RuII(NH3)][PF6]2 (Ru=Ru(tpy)(dmabpy)) complexes. All intermediates, including the elusive [RuIII(NH2)]2+ and [RuIV(NH)]2+, were detected, with several intermediates characterized spectroscopically. The catalytic cycle follows multiple reaction pathways branching at the key intermediates [RuIII(NH2)]2+ and [RuII(N2H4)]2+. The competition between the pathways is influenced by ammonia concentration and the local proton concentration generated during electrooxidation at the anode. In the N−N bond‐forming steps, dimerization of [RuIII(NH2)]2+ and nucleophilic attack of [RuIV(NH)]2+ by ammonia compete, while in the subsequent [RuII(N2H4)]2+ oxidation, direct oxidation competes with proton‐catalyzed disproportionation. These findings provide molecular‐level insights into the catalytic cycle and offer guidance for developing more efficient ruthenium‐based ammonia oxidation catalysts.
An Organic Crystalline Ternary Pseudo‐Heterojunction with Contrasting Luminescent and Mechanical Properties Prepared by Thermotropic Phase Transition
Authors: Qi Jianqun , Lan Linfeng , Zhang Hongyu
Published: February 2025

Advancements in crystal engineering have enabled the precise tuning of the physical properties of organic crystals, thereby enhancing their potential in advanced optoelectronics. Here, we design an organic compound which crystallizes into distinct polymorphs with contrasting luminescent and mechanical behaviors. Controlled growth conditions yield flexible (Cry‐O: orange fluorescence) and brittle (Cry‐Y: yellow fluorescence) crystals which exhibit unique fluorescence shifts and reversible spectral changes between room and low temperatures, alongside unidirectional phase transitions upon thermal stimulation. The optical and mechanical differences between the polymorphs O and Y stem from their distinct molecular packing arrangements and intermolecular interactions. Notably, Cry‐O undergoes sequential phase transitions upon heating to 98 and 132 °C, enabling the creation of a ternary “pseudo‐heterojunction” structure, facilitating the integration of multiple functional phases into a single material. These findings not only enhance the understanding of structure–property relationships of organic materials but also demonstrate the potential of polymorphism‐driven property tuning for optoelectronic devices, thermal management systems, and optical sensors.
Phenotypic Variation and Genetic Divergence in Natural Populations of Curmuca barb, Hypselobarbus curmuca (Hamilton, 1807) in the Rivers of the Western Ghats Biodiversity Hotspot, India
Authors: Mallegowda Jeevan Thiruguna , Lanthaimeilu Kamei , Devadas Dayal , Kumar Hirekudel Sanath , Jaiswar Ashok Kumar
Published: February 2025

Hypselobarbus curmuca is an endemic fish species of Family Cyprinidae found in rivers and reservoirs of the Western Ghats, India. An interdisciplinary study was conducted to assess the population genetic structuring of the species with the help of conventional morphometric, image‐based truss network and genomic data of a nonprotein encoding mitochondrial DNA region (partial D‐loop −494 bp) (n = 106). Fishes were collected from five rivers of the Western Ghats, namely, Kali, Sharavathi and Chalakudy (west‐flowing) and Ghod and Tungabhadra (east‐flowing) (n = 294). Multivariate analysis of body measurements and truss distances revealed very weak separation among populations. The D‐loop sequence analysis showed that genetically distinct populations of fishes inhabit the studied rivers. Principal component analysis (PCA) and linear discriminant analysis (LDA) could not completely distinguish morphologically distinct populations. D‐loop sequence analysis indicated 13 haplotypes with low nucleotide diversity and 15 polymorphic sites, with location‐specific haplotypes. An overall haplotype diversity of 0.80 and nucleotide diversity of 0.00849 were found. The haplotype network and maximum likelihood phylogenetic tree showed three clusters with two most probable ancestors. Analysis of molecular variance (AMOVA) showed a high value (0.898) of the fixation index (FST) among the populations (p > 0.05). Neutrality test and mismatch distribution results indicated that the populations are currently subjected to selection. Application of an integrated approach to characterise the populations of H. curmuca in the wild supports the hypothesis of geographical barriers as major drivers of population genetic differentiation. Different riverine environments have not selected for morphological differences during the evolutionary process in the recent past and showed weak separation of populations. These findings can be utilised while designing conservation strategies for the species in the rivers of the Western Ghats, as the species faces threats due to exploitation in capture fisheries and trade in aquaculture.
Dynamic Mechanism of Short Peptide Additive Regulating Solvation Microenvironment of Zinc Ions
Authors: Li Yuting , Xiong Danyang , Zhu Jiabao , Mou Yulan , Yang Jinrong , He Xiao
Published: February 2025

The optimization electrolyte strategy through molecular additives to improve the stability of aqueous zinc‐ion batteries (AZIBs), which changes the solvation structure of hydrated zinc ions (Zn2+), generally relies on experimental trial and error, because the precise mechanism by which these additives alter the coordination environment of Zn2+ remains elusive. Here, we select the oligopeptide of mono‐, di‐, tri‐, and tetra‐glycine, as electrolyte additives to optimize the Zn2+ solvation microenvironment in AZIBs. Contrary to traditional views, we find that these additives modify the solvated structure of the Zn2+ by substituting sulfate ion (SO42−) in the preexistence of Zn2+‐SO42− ion pair, rather than water molecules in the first solvation shell, due to a high energy barrier to replace one of the coordinated water molecules of Zn2+. This observation is consistent with recent experimental result of the attenuating influence of glycine on the interaction between Zn2+ and SO42− confirmed by Fourier‐transform infrared spectroscopy. For the multifunctional triglycine, its favorable conformation is disrupted to accommodate the direct coordination of oxygen atoms with Zn2+, and Zn2+ is observed to migrate between distinct sites along the triglycine backbone. This work provides theoretical principles to rationally design advanced electrolytes for solvation modulation with high performance AZIBs.
Corporate Environmental Performance Leading Financial Performance: Impacts of Social Media Sentiment and Corporate Reputation
Authors: Islam Tiasha , Arunachalum Murugesh , Wellalage Nirosha , Benjamin Samuel
Published: February 2025

This study examines the interplay between social media sentiment (SMS) and corporate reputation (CR) in shaping the relationship between corporate environmental performance (CEP) and corporate financial performance (CFP). Using a dataset of S&P 500 companies from 2017 to 2022, the results indicate that both CR and SMS positively influence the CEP–CFP relationship. However, when firms have weak reputations, a strong social media presence does not translate positive CEP into improved CFP. This research is among the first to explore the combined impact of SMS and CR on the CEP–CFP relationship, addressing the notable gap in the literature. In addition, the empirical findings offer insights into resource‐based views, legitimacy and ethical investment theories by demonstrating environmental performance as a competitive advantage. This aligns with the ethical investment theory's premise that stakeholders value environmentally responsible business practices. Finally, the study provides practical implications for managers, emphasising the importance of prioritising efforts to build and maintain a positive reputation for effective communication through social media.
Multi‐Institutional Analysis of Survival and Recurrence Patterns of Different Pathological Regression Types After Neoadjuvant Chemoradiotherapy or Radiotherapy for Esophageal Squamous Cell Carcinoma
Authors: Zhao Fangdong , Wang Qifeng , Han Weiming , Maitudi Wubulaishan , Cao Fuliang , Zhang Tian , Chen Xi , Dong Jie , Gong Lei , Shang Xiaobin , Jiang Hongjing , Zhang Wencheng , Pang Qingsong , Xiao Zefen , Wang Ping , Tang Peng
Published: February 2025

Background

The recurrence patterns of different types of pathologic regression of the primary tumor and lymph nodes in patients with esophageal squamous cell carcinoma (ESCC) after neoadjuvant chemoradiotherapy (NCRT) are little known, especially in ypT0N+ patients.

Methods

We included 582 patients with ESCC who had esophagectomy after NCRT or neoadjuvant radiotherapy (NRT) from 3 institutions. The patients were divided into 4 groups: ypT0N0, ypT0N+, ypT+N0, and ypT+N+ according to the type of pathological regression of the primary tumor and lymph nodes. Survival, recurrence pattern and timing, and potential prognostic factors were compared.

Results

A total of 179 patients were classified as ypT0N0, 227 patients as ypT + N0, 45 patients as ypT0N+, and 131 patients as ypT + N+. The median follow‐up was 31.7 months in all patients. The restricted mean survival time (RMST) of ypT0N0, ypT + N0, ypT0N+, and ypT + N+ patients decreased sequentially (70.64, 63.84, 55.93 and 39.96 months) and the recurrence rates increased sequentially (22.3%, 29.5%, 44.4% and 54.2%). Both the overall survival (OS) and recurrence‐free survival (RFS) in the ypT0N+ group were significantly lower than those in the ypT0N0 group (HR: 2.226, p = 0.007; HR: 2.271, p = 0.003). The distant metastasis (DM) pattern in ypT0N+ was similar to that of ypT + N+, and higher than that of ypN0 (25.6% vs 14.3%, HR: 1.970, p = 0.040).

Conclusions

ESCC patients with various pathological regression types after receiving NCRT or NRT had significantly different survival rates. ypT0N+ patients had a lower survival rate and higher DM rate than ypT0N0 patients. For these lymph node‐positive patients, adjuvant chemotherapy does not appear to improve their prognosis.
Molecular Subtyping and Therapeutic Targeting of IFNG‐Driven Immunogenic Cell Death in Lung Adenocarcinoma
Authors: Li Lifeng , Yang Yaqi , Peng Mengle , Wang Biyue , Zhu Lili , Chen Chengxin , Fan Zhirui , Duan Xiaoran , Xue Ruyue , Lv Xuefeng , Cheng Ming , Zhao Jie
Published: February 2025

Background

Immunogenic cell death (ICD) can be triggered by various therapies to induce anti‐tumor immune responses, significantly enhancing treatment effectiveness, and is widely utilized in tumor immunotherapy.

Methods

LUAD data from The Cancer Genome Atlas (TCGA) and Gene Expression Omnibus (GEO) validated ICD‐related molecular subtypes via consensus clustering. Clinical features, ICD genes, driver genes, mutations, tumor microenvironment, immune checkpoints, and drug sensitivity were compared. RT‐qPCR, Western blot, immunofluorescence, ELISA, flow cytometry, and tube formation assays validated findings.

Results

Differential expression of 33 ICD genes was observed between tumor and normal tissues. These genes were clustered into two groups via consensus clustering and validated with GEO data. Prognostic analysis indicated superior outcomes in cluster 2 across TCGA and GEO cohorts. Significant disparities in clinicopathological characteristics like stage, gender, and age were noted between subtypes. Cluster 2 exhibited heightened expression of ICD‐related genes, driver genes, immune checkpoints, and immune cells. Cluster 2 also showed increased sensitivity to chemotherapy drugs. IFNG overexpression in A549 and H1299 cells induced CRT exposure, HMGB1 release, and ATP secretion, thereby promoting dendritic cell maturation and enhancing CD8+ T cell function. Additionally, IFNG boosted tumor angiogenesis via HMGB1 pathways, which could be mitigated by HMGB1 inhibition.

Conclusion

Identification of novel ICD‐related molecular subtypes holds promise for guiding personalized therapies, assessing prognosis, and predicting immunotherapy efficacy in LUAD. IFNG emerges as a potential prognostic biomarker and therapeutic target, influencing both the tumor microenvironment and angiogenesis. These findings offer new insights into therapeutic strategies targeting IFNG‐mediated pathways in LUAD.
A Novel Method to Calibrate Spring‐Network Cell Model in Hydrodynamic Flow
Authors: Anandan Aravind , Maleki Mehdi , Thomann Céline , Perraud Axelle , Chatelin Robin , Ohayon Avigaël , Marquette Christophe , Courtial Edwin‐Joffrey
Published: February 2025

One of the primary challenges encountered during the extrusion bioprinting process involves managing mechanical stresses within the printer nozzle. These stresses ultimately have an impact on the health and functionality of the cells within the printed structure. Statistical models in bioprinting predict cell damage but are empirical, disregard key interactions, and lack single‐cell prediction. Our ultimate objective is to develop an efficient validated computational model simulating human dermal fibroblast deformability in extrusion bioprinting, considering all important interactions. The spring‐network model shows promise in simulating cellular deformation. However, its widespread adoption and efficiency rely on a significant challenge of accurately calibrating model coefficients. This calibration process is complex due to the lack of a manual method tailored for eukaryotic cells suspended in hydrodynamic flow. In this study, we described a new method to calibrate the model coefficients manually for human dermal fibroblasts. To achieve this calibration, experimental data of human dermal fibroblasts passing through narrow microfluidics constriction was used. The calibration process was initiated by using coefficients associated with red blood cells and subsequently adjusted by comparing the model's behavior with experimental data. The elastic coefficients were calibrated to closely replicate the entry time observed in the experiments with a 5% error margin. However, notable differences persisted in the cell deformation behavior between simulation and experiment. Moreover, adding membrane viscosity minimally reduced transient cell deformation by less than 10% without affecting steady‐state deformation.
Mitogenomic Analysis of Glirids (Gliridae) and Squirrels (Sciuridae) From Türkiye: Evolutionary and Taxonomic Implications Within the Suborder Sciuromorpha
Authors: İbiş Osman , Selçuk Ahmet Yesari , Teber Saffet , Baran Mehmet , Koepfli Klaus‐Peter , Kefelioğlu Haluk , Tez Coşkun
Published: February 2025

Gliridae and Sciuridae, the most impressive mammalian radiations within the suborder Sciuromorpha, encompass a total of 327 extant species. This study aimed to: (i) characterize the mitogenomes of three sciurid (Spermophilus citellus, Spermophilus taurensis, and Spermophilus xanthoprymnus) and three glirid (Glis glis, Dryomys nitedula, and Dryomys laniger) species from Türkiye; (ii) elucidate the phylogeographic relationships within D. laniger and D. nitedula using both mitogenomes and mitochondrial cytochrome b (CYTB) sequences; and (iii) reconstruct the phylogenetic relationships among extant members of the suborder Sciuromorpha. Sixteen new mitogenomes were sequenced from Turkish samples, containing 37 genes (2 ribosomal RNAs, 13 protein‐coding genes, 22 transfer RNAs), exhibiting similarity to those of other Gliridae and Sciuridae species. Based on mitogenomic data, Bayesian Inference and Maximum Likelihood phylogenetic analyses revealed two major phylogroups corresponding to the two families, Gliridae and Sciuridae, which were both monophyletic. Analyses of mitogenomic and CYTB sequences revealed at least two major lineages (i: Anatolia and ii: Lesser Caucasus and Alborz) of D. nitedula in the Anatolian region of Türkiye. The mitochondrial CYTB data indicated that D. laniger exhibited at least two major lineages (Eastern and Western), whereas D. nitedula comprised multiple lineages and sublineages. The mean genetic distance between the two mitogenomic lineages of D. nitedula was 7.69%. Based on the CYTB data, the mean genetic distance between the Eastern and Western lineages of D. laniger was 7%, whereas the mean genetic distances among the lineages of D. nitedula ranged from 6% to 13%. Major lineages of both D. laniger and D. nitedula might be considered distinct species throughout the species' range. This study demonstrates that complete mitogenomes for reconstructing the Gliridae phylogeny provides important information for revealing phylogenetic and phylogeographic relationships.
HLA evolutionary divergence score after donor lymphocyte infusion following allogeneic hematopoietic stem cell transplantation
Authors: Le Grand Sophie , Villemonteix Juliette , Daguindau Etienne , Fort Marylise , Caillat‐Zucman Sophie , Allain Vincent , Dormoy Anne , De Mas Veronique , Delabesse Eric , Recher Christian , Peffault de Latour Regis , Vallet Nicolas , Michonneau David , Guenounou Sarah , Huynh Anne
Published: February 2025

Donor lymphocyte infusion (DLI) prevents acute myeloid leukemia (AML) or myelodysplastic syndrome (MDS) relapses following hematopoietic stem cell transplantation. Given the life‐threatening toxicities such as graft versus host disease (GVHD), the identification of variables associated with response without toxicities is warranted. We hypothesized that HLA evolutionary divergence (HED), defined by the diversity between two given alleles of the same HLA gene, may be such a factor. A retrospective multicenter case‐control study was conducted to evaluate the outcomes of pre‐emptive (preDLI) and prophylactic DLI (proDLI) regarding their HED score, in AML or MDS patients. DLI‐treated patients were matched with controls (1:2 matched) from French transplantation centers according to hospital, hemopathy, donor type, and risk classification. In total, 201 patients were included (N = 147 in the preDLI group, N = 54 in the proDLI group). Relapse‐free survival was significantly better in the preDLI group (hazard ratio [HR] = 0.23, 95% confidence interval [CI]: 0.14–0.55, p < 0.001) than in controls. However, this benefit was offset by a higher incidence of severe GVHD (HR = 4.88, 95% CI: 2.30–10.32, p < 0.001). HED A, B, C, DQA1, DQB1, DPB1, and DRB1 were calculated for 65 DLI‐treated patients. High‐class II HED was significantly associated with higher GVHD and relapse‐free survival (GRFS, HR = 0.33, 95% CI: 0.20–0.77, p = 0.005). Specific DQAB associations directly improved GRFS (HR = 0.23, 95% CI: 0.09–0.58, p = 0.004). In conclusion, screening the class II HED score identifies patients eligible for DLI treatment who will benefit the most from this strategy.
miR‐207 Suppresses the Progression of SiO2‐Induced Pulmonary Fibrosis by Targeting Smad3 to Regulate the TGF‐β1/Smad3 Signaling Pathway in C57BL/6 Mice
Authors: Zhao Jia‐hui , Li Shuang , Du Shu‐ling , Han Gui‐zhi , Li Huan , Shao Bo , Liu Xia , Zhou Yuting , Zhang Zhao‐qiang
Published: February 2025

Silicosis is a worldwide occupational disease characterized by irreversible pulmonary fibrosis. Recent studies have showed that microRNAs (miRNAs) may play a crucial role in silicosis progression by modulating fibrosis‐related gene express. In this study, we selected miR‐207 as our research subject because we found that miR‐207 can be match with Smad3 using bioinformatic techniques, which might silence the key fibrosis‐related TGF‐β1/Smad3 signal pathway. In this study, the mice were given silica suspension (20 µg/µL, 80 µL) via nostril once a day for 16 days to establish silicosis models, and then were transfected with miR‐207 mimic or inhibitor. The mice which were given phosphate‐buffered saline (PBS) (80 µL) via nostril were used as control. All mice were killed on Day 45 after the first exposure to dust, after which their lungs were removed for pathological observation and to measure the hydroxyproline content. Then, real‐time polymerase chain reaction and Western blot analysis were applied to detect the relative expression levels of TGF‐β1/Smad3 signaling pathway indicators (TGF‐β1, TGF‐βR, and Smad3), and myofibroblast transformation indicators (α‐SMA and Fn). Results showed that the lung pathological images of silicosis model group mice showed significant fibrosis, and TGF‐β1, TGF‐βR, Smad3, α‐SMA, and Fn were all highly upregulated compared with the control group mice. Intervention with miR‐207 mimics significantly inhibited pulmonary fibrosis in silicosis mice by downregulation of TGF‐β1/Smad3 and inhibiting of myofibroblast formation. Whereas these phenomena were not observed in silicosis mice treated with miR‐207 inhibitor. The results demonstrated that miR‐207 can block the progression of SiO2‐induced pulmonary fibrosis by targeting the TGF‐β/Smad3 signaling pathway.
Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster
Authors: Kutzner Carsten , Miletić Vedran , Palacio Rodríguez Karen , Rampp Markus , Hummer Gerhard , de Groot Bert L. , Grubmüller Helmut
Published: February 2025

We benchmarked the performance of the GROMACS 2024 molecular dynamics (MD) code on a modern high‐performance computing (HPC) cluster with AMD CPUs on up to 65,536 CPU cores. We used five different MD systems, ranging in size from about 82,000 to 204 million atoms, and evaluated their performance using two different Message Passing Interface (MPI) libraries, Intel‐MPI and Open‐MPI. The largest system showed near‐perfect strong scaling up to 512 nodes or 65,536 cores, maintaining a parallel efficiency above 0.9 even at the highest level of parallelization. Energy efficiency for a given number of nodes was generally equal to or slightly better than parallel efficiency. We achieved peak performances of 687 ns/d for the 82k atom system, 116 ns/d for the 53M atom system, and about 35 ns/d for the largest 204M atom system. These results demonstrate that highly optimized software running on a state‐of‐the‐art HPC cluster provides sufficient computing power to simulate biomolecular systems at the mesoscale of viruses and organelles, and potentially small cells in the near future.
So Many Choices: A Guide to Selecting Among Methods to Adjust for Observed Confounders
Authors: Keele Luke , Grieve Richard
Published: February 2025

Non‐randomised studies (NRS) typically assume that there are no differences in unobserved baseline characteristics between the treatment groups under comparison. Traditionally regression models have been deployed to estimate treatment effects adjusting for observed confounders but can lead to biased estimates if the model is missspecified, by making incorrect functional form assumptions. A multitude of alternative methods have been developed which can reduce the risk of bias due to model misspecification. Investigators can now choose between many forms of matching, weighting, doubly robust, and machine learning methods. We review key concepts related to functional form assumptions and how those can contribute to bias from model misspecification. We then categorize the three frameworks for modeling treatment effects and the wide variety of estimation methods that can be applied to each framework. We consider why machine learning methods have been widely proposed for estimation and review the strengths and weaknesses of these approaches. We apply a range of these methods in re‐analyzing a landmark case study. In the application, we examine how several widely used methods may be subject to bias from model misspecification. We conclude with a set of recommendations for practice.
Fermionic and parafermionic CFTs with $$ \hat{su}(2) $$ and $$ \hat{su}(3) $$ symmetry
Authors: Kawabata Kohki
Published: February 2025

Abstract

We investigate two-dimensional conformal field theories (CFTs) with affine

$$ \hat{su}(2) $$

su
̂

2

and

$$ \hat{su}(3) $$

su
̂

3

algebra symmetry. Their bosonic modular-invariant partition functions have been fully classified based on the ADE classification. In this work, we extend the classification to include fermionic and parafermionic CFTs with the same affine symmetries, utilizing techniques of fermionization and parafermionization. We find that the fermionic and parafermionic

$$ \hat{su}(2) $$

su
̂

2

models are related to non-simply laced Dynkin diagrams.
On the new factorizations of Yang-Mills amplitudes
Authors: Zhang Yong
Published: February 2025

Abstract

In this work, we prove the new factorization pattern for tree-level Yang-Mills (YM) amplitudes proposed in the companion paper [1]. This pattern reveals a decomposition of amplitudes into a sum of gluings of lower-point amplitudes under specific kinematic constraints, making the hidden zeros of YM amplitudes manifest. Utilizing the Cachazo-He-Yuan (CHY) formalism, we rigorously derive these factorizations by systematically analyzing the contributions of singular solutions to the scattering equations. Through the identification and application of key algebraic identities, we demonstrate how cancellations among terms uncover a recursive structure intricately tied to the hidden zeros. This work not only conclusively validates the proposed factorization but also provides new insights into the geometric and algebraic organization of YM amplitudes within the CHY framework.
Emerging Jordan blocks in the two-dimensional Potts and loop models at generic Q
Authors: Liu Lawrence , Jacobsen Jesper Lykke , Saleur Hubert
Published: February 2025

Abstract

It was recently suggested — based on general self-consistency arguments as well as results from the bootstrap [1–3] — that the CFT describing the Q-state Potts model is logarithmic for generic values of Q, with rank-two Jordan blocks for L
0 and

$$ {\overline{L}}_0 $$

L
¯

0

in many sectors of the theory. This is despite the well-known fact that the lattice transfer matrix (or Hamiltonian) is diagonalizable in (arbitrary) finite size. While the emergence of Jordan blocks only in the limit L → ∞ is perfectly possible conceptually, diagonalizability in finite size makes the measurement of logarithmic couplings (whose values are analytically predicted in [2, 3]) very challenging. This problem is solved in the present paper (which can be considered a companion to [2]), and the conjectured logarithmic structure of the CFT confirmed in detail by the study of the lattice model and associated “emerging Jordan blocks.”
Predictive Power of Pharyngolaryngeal Secretion Accumulations for Penetration and Aspiration in Head and Neck Cancer Patients
Authors: Hötzel J. , Zaretsky E. , Goeze A. , Hey C.
Published: February 2025

Pharyngolaryngeal secretions, penetration, and aspiration belong to the cardinal symptoms of swallowing disorders in head and neck cancer patients. In order to provide safe swallowing diagnostics, it is of interest whether pharyngolaryngeal secretion accumulations can be used as a predictor for penetration and aspiration of food and liquids. This study analyzed the predictive power of pharyngolaryngeal secretion accumulations for the penetration and aspiration in head and neck cancer patients. Between 2016 – 2024, 403 head and neck cancer patients underwent swallowing diagnostics via Fiberoptic Endoscopic Evaluation of Swallowing (FEES). Pharyngolaryngeal secretions were graded with the secretion severity rating scale (SSRS) by Murray et al., penetration and aspiration with the penetration-aspiration scale (PAS) by Rosenbek et al. Both scales were cross-tabulated and correlated with each other. Possible influencing factors on PAS were analyzed by Spearman’s correlations and Kruskal–Wallis-H-tests: patients’ age, tumor stage and site, type of the oncological therapy, and time of examination. A linear regression and a Categorical Principal Components Analysis were utilized for the same purpose. Higher SSRS and PAS values tended to co-occur. In univariate calculations, the tumor stage and time of examination showed significant correlations with PAS. In multivariate analyses, the tumor stage, patients’ age, but above all the SSRS were shown to be significant influencing factors on PAS. Pharyngolaryngeal secretion accumulations can be used for the prediction of aspiration of food and liquids and thus for the improvement of safety of the swallowing diagnostics via FEES.
Multiple metachronous foveolar-type gastric adenomas in a Helicobacter pylori-naïve patient with long-term use of a proton pump inhibitor: a case report
Authors: Miyaoka Yoichi , Shibagaki Kotaro , Kushima Ryoji , Omachi Taisuke , Hino Takanobu , Fujiwara Aya , Tsukano Kousuke , Ogawa Sayaka , Yamanouchi Satoshi , Tanaka Masaki , Miyake Tatsuya , Fujishiro Hirofumi , Kohge Naruaki , Ohnuma Hideyuki , Ishimura Norihisa , Mishiro Tsuyoshi , Ishihara Shunji
Published: February 2025

A 69-year-old man undergoing long-term administration of a proton-pump inhibitor (PPI) underwent upper endoscopy, which found a small, whitish, flat lesion in the fundic gland (oxyntic) mucosa. The patient had never received treatment for Helicobacter pylori (Hp) infection, and diagnostic testing for Hp was negative, suggesting an Hp-naïve status. Two years later, the lesion appeared markedly enlarged and was endoscopically resected. Histological examination revealed a low-grade foveolar-type gastric adenoma (FGA), predominantly expressing MUC5AC by immunohistochemistry. Two years later, while PPI therapy was continued, three new flat lesions were found. These were endoscopically resected and histologically diagnosed as low-grade FGAs as before, suggesting that multiple metachronous tumors had developed in a short period of time during long-term PPI administration. A KRAS mutation and a CTNNB1 mutation were identified in the tumor. To our best knowledge, this is the first report of potentially PPI-associated multiple metachronous FGAs in an Hp-naïve patient. Here we report a case of multiple foveolar-type gastric adenomas with rapid metachronous recurrences during long-term use of a proton pump inhibitor in Helicobacter pylori-naïve patient.
Quantifying the potential of façade climbing plants in reducing air pollution: a novel investigation into the absorption capabilities of three climbers for CO2, NO2, and O3 in urban environments
Authors: Aduse-Poku Minka , Edelmann Hans G.
Published: February 2025

Air pollution and climate change will require the advancement of suitable green technologies and mitigation measures in the future, especially in cities. However, the possibilities for this are limited, partly due to the heavily built-up and thus restricted urban open space and sealed surfaces. Incorporating vertical surfaces, abundant in cities, as a valuable space for climbing plants is an ideal opportunity and means of improving air quality. Unfortunately, there are hardly any reliable quantitative facts on the improvement of air quality brought about by these climbing plants. In this study, we analysed and compared typical climbing plants with regard to their absorption potential of gaseous air pollutants. This revealed pronounced differences between Hedera helix, (ivy) Lonicera henryi (honeysuckle) and Clematis montana (anemone clematis) regarding their absorption/filtering capacity of CO2, NO2 and O3, the last two of which are hazardous to health.
Photocatalytic degradation of polycyclic aromatic hydrocarbons under visible light irradiation in water using TiO2/MgO nanocomposites
Authors: Matsukevich Iryna V. , Beljin Jelena , Kulinich Natallia V. , Apostolović Tamara , Maletić Snežana , Romanovski Valentin
Published: February 2025

An extensive class of pollutants found in soil, water, and bottom sediments are categorized as polycyclic aromatic hydrocarbons. A possible method of breaking down polycyclic aromatic hydrocarbons is thought to be the photochemical approach. The potential application of mesoporous nanocomposites on TiO2/MgO as catalysts for the photooxidation of polycyclic aromatic hydrocarbons under the influence of visible light was assessed in this work. TiO2/MgO nanocomposites were successfully obtained by the self-propagating high-temperature synthesis using methotitanic acid and magnesium nitrate as metal precursors. An important step in the synthesis was the conversion of the titanium precursor into a water-soluble form with the subsequent addition of glycine and citric acid at a carbon/nitrogen (C/N) molar ratio of 0.25. This synthesis via solutions allowed the target materials with major phases of magnesium metatitanate MgTiO3, magnesium dititanate MgTi2O5, and magnesium titanate Mg2TiO4 to be obtained after heat treatment at 750 °C. Heterostructured mesoporous TiO2/MgO powders with a specific surface area of 22.0–28.4 m2/g had an average diameter of the predominant pores of 10–30 nm. The greatest degree of photocatalytic oxidation of fluorene, pyrene, and benzpyrene (80, 68, and 53%, respectively) was obtained when it was combined with the TiO2/MgTi2O5/MgTiO3 nanocomposite under visible light irradiation. This study showed that mesoporous TiO2/MgO nanocomposites could be used as photooxidation catalysts for polycyclic aromatic hydrocarbons. The maximum level of photocatalytic oxidation of polycyclic aromatic hydrocarbons in TiO2/MgO nanocomposites occurred at pH 7 and a photocatalyst dose of 1 mg/L under the influence of normal solar radiation.
RNA virus diversity highlights the potential biosecurity threat posed by Antarctic krill
Authors: Xu Tingting , Zhao Xianyong , Loch Thomas , Zhu Jiancheng , Wang Wei , Wang Xinliang , Wang Chong , Fan Gangzhou , Hao Bin , Zhang Jichang , Zhao Wenxiu , Bondad-Reantaso Melba G. , Alday-Sanz Victoria , Zhang Qingli
Published: February 2025

Antarctic krill Euphausia superba, one of the most abundant species on the planet, is a keystone species of the Southern Ocean ecosystem. In the present study, we analyzed the RNA virome of Antarctic krill via metatranscription methods. The results showed that only 0.39% (49/12, 558) of the resultant unigenes could be assigned to known viral taxa, which were most similar to 17 known viruses, including nine invertebrate viruses, two vertebrate viruses, three protozoan viruses and three mycoviruses. However, most of the detected viruses possessed low amino acid similarity with counterparts in the viral databases. Penaeus vannamei picornavirus (PvPV; Family Picornaviridae) and covert mortality nodavirus (CMNV; Family Nodaviridae) were the two most abundant viruses in the Antarctic krill RNA virome. Notably, PvPV and CMNV are known pathogens to multiple aquatic animals according to epidemiological survey and exposure experiments, whereby PvPV positive krill caused clinical symptoms and histopathological lesions to P. vannamei and similarly, CMNV infection altered the swimming and feeding behavior of parent marine medaka Oryzias melastigma and caused tissue damage and even spinal curvature of the offspring. Results herein reveal, for the first time, the high abundance and taxonomic diversity of viruses in Antarctic krill while simultaneously highlighting the risk of an important virus reservoir to global aquaculture, and the potential impact on animals in the Antarctic ecosystem.
Enhancing Scientific Capacity in Africa – A Report on the 2023 International Space Weather Initiative School and the African Geophysical Society Annual Conference
Authors: Ngwira Chigomezyo M. , Yizengaw Endawoke , Gopalswamy Nat , Pulkkinen Antti , Simpemba Prospery
Published: February 2025

Natural hazards, such as weather in space and the terrestrial environment, have the potential to disrupt critical technologies and infrastructures that contribute to national security and economic advancement. Enhancing our understanding of natural hazards is a central part to developing mitigation strategies to avert their impact on technological assets and/or infrastructure. With the support of the broader scientific community, the International Space Weather Initiative (ISWI) and the African Geophysical Society (AGS) successfully organized two international events in September–October 2023, namely, the ISWI space weather school and the AGS Annual Conference. Both events were locally hosted by the Physics Society of Zambia in Lusaka, Zambia. This paper is a summary report of the two events, highlighting efforts focused on advancing scientific research in Africa. The report also outlines some of the major challenges faced and discusses key considerations for organizing future meetings.
Mechanisms of Bimodal Magmatism Generation Beneath Southwest Indian Ridge: Implications for the Variable Composition of MORBs
Authors: Zhou Huaiyang , Qian Shengping , Dick Henry J. B.
Published: February 2025

At mid‐ocean ridges, volcanic activity is predominantly marked by the voluminous effusion of tholeiitic basaltic lavas, with sporadic occurrences of mildly alkalic basalts. However, the genetic link between voluminous tholeiitic basalts and small‐volume alkali basalts remains enigmatic. We report both alkaline and tholeiitic volcanism at the Marion Rise segment of the ultraslow spreading (14 mm/yr) Southwest Indian Ridge (SWIR). In contrast to the effusive tholeiitic (MORB) volcanism in Dr 27 along the Marion Rise, the Dr 30 samples consist of transitional to alkalic glass and alkaline scoria with E‐MORB‐like affinity (e.g., with high K/Ti, volatile contents (e.g., CO2 and H2O), La/Sm and radiogenic heavy isotopes). Critically, the petrological and geochemical evidence of melt inclusions and their host minerals suggests shallow mixing of a volatile‐rich low‐viscosity alkaline magma with entrained MORB crystal mush. The MORB mush represents a later volatile‐poor viscous melt erupted effusively from beneath the axial valley onto the seafloor. This indicates bimodal magmatism beneath ocean ridges with the generation of early‐formed alkaline melts that ascend independently of the far more voluminous tholeiites, which then interact and mix in the melt storage region in the ocean lithosphere. Mixing of small volume alkaline melts with more voluminous tholeiitic melts then explains the local major element uniformity of MORB and its isotopic and trace element diversity. We suggest this may apply globally as at magmatically more robust ridges the role of alkali basalt is likely masked by the far more voluminous MORB.
The evolution and application of RNA-focused small molecule libraries
Authors: Taghavi Amirhossein , Springer Noah A. , Zanon Patrick R. A. , Li Yanjun , Li Chenglong , Childs-Disney Jessica L. , Disney Matthew D.
Published: February 2025

Hits identified from screening diverse compound libraries against RNA targets can be used to inform design of RNA-focused libraries via computational techniques to calculate chemical similarity and physicochemical properties.
Femto-microsecond electron transfer and intermediates in Al/Fe CO2 photoreduction systems through optical and X-ray spectroscopy
Authors: Sauvan Maxime , Ugale Ashok , Velasco Lucia , Charisiadis Asterios , Ma Fan , Zhang Xiaoyi , Wang Jia-Wei , Moonshiram Dooshaye
Published: February 2025

This study reveals the reaction pathways of 2Al–Fe earth-abundant photocatalytic systems for CO2 reduction through femto-nanosecond optical transient absorption and microsecond X-ray spectroscopies.
Regulation of crystallization by Introducing a multistage growth template affords efficient and stable inverted perovskite solar cells
Authors: Zhang Jiaqi , Dai Runying , Yang Jia , Liu Yikun , Yu Jianxin , Tan Licheng , Chen Yiwang
Published: February 2025

Imidazole tetrafluoroborate ionic liquids serve as multistage growth templates for simultaneously adjusting the crystallization kinetics of NiOx and perovskite. The optimized NiOx-based device delivers an exceptionally high efficiency of 25.73%.
Synthesis and characterisation of polycarbonates from spent lithium battery electrolytes
Authors: Wang Haiyue , Deng Lili , Fang Bing , Li Xiaolong , Guo Liying , Zheng Rongrong
Published: February 2025

Novel synthesis of environmentally-friendly copolycarbonates from spent lithium battery electrolytes via Im ZnCl3 catalysis, yielding flexible materials for green chemistry and recycling.
One stone, two birds: robust and self-absorption free flexible perovskite scintillators by metal–organic framework encapsulation
Authors: Zhou Jie , Wang Zhouyuanhang , Shi Zhongren , Zhang Xilin , Yang Lan , Jiang Yuxuan , Kuai Yan , Hu Zhijia , Li Siqi
Published: February 2025

The energy transfer strategy in MOFs enables perovskite scintillators to achieve both stability and high efficiency.
In situ fabrication of MoO2–Ni3(PO4)2/NF heterojunction composite material for application as a supercapacitor electrode
Authors: Jin Zhongxin , Lin Feng , Li Caiying , Shao Cheng , Xu Yang , Li Fangze , Pang Haijun , Ma Huiyuan
Published: February 2025

A novel MoO2–Ni3(PO4)2/NF heterojunction electrode material exhibits good supercapacitor performance derived from polyoxometalate (NH4)6[NiMo9O32]·6H2O, which provides a new strategy for the development of high-performance supercapacitor materials.
Electronically modulated cobalt–nitrogen/carbon catalyst via ligand displacement of metal–organic frameworks toward efficient oxygen reduction
Authors: Wan Pengcheng , Li Bin , Tang Yihang , Zeng Xu , Wu Yulong , Yao Junlong , Xiao Junwu , Xia Bao Yu , Sun Yimin
Published: February 2025

Ligand displacement in a metal–organic framework to introduce nitrogen and sulphur elements could tailor the electronic environment and oxygen binding force of the resulting cobalt–nitrogen/carbon catalyst to improve its oxygen reduction activity.
Polarized molecular wires for efficient photo-generation of free electric charge carriers
Authors: Martyka Mikołaj , Jankowska Joanna
Published: February 2025

We design and characterize by means of theoretical-chemistry methods five small-sized and linear all-organic polarized molecular wires (PMWs) for photovoltaic applications.
Hybrid polarimetry inverse synthetic aperture radar
Authors: Kumar Ajeet , Giusti Elisa , Martorella Marco
Published: February 2025

The inverse synthetic aperture radar (ISAR) system exploits the movement of the target to form its high‐resolution image. Further, the multi‐polarisation acquisition in ISAR collects additional information on the target's scattering properties and surface characteristics that help to enhance the imaging capabilities of ISAR. In this study, we suggest a novel multi‐polarisation ISAR configuration based on the circular transmit and linear receive (CTLR) combination, namely CTLR hybrid‐pol ISAR, for the application of non‐cooperative target detection and imaging. The CTLR hybrid‐pol ISAR captures sufficient information about the targets to accurately characterise them, and simultaneously overcomes the drawbacks of full‐polarimetry (full‐pol) ISAR associated with the transmission of two pulses to obtain a single unit of polarimetric back‐scattered information. Validation is performed using real ISAR data of a T‐72 tank target, collected under the moving and stationary target acquisition and recognition (MSTAR) programme conducted by the Georgia Tech Research Institute. A comparative analysis based on SPAN, entropy, and polarimetric decomposition is carried out between the full‐pol ISAR and CTLR hybrid‐pol ISAR information. The results conclude that CTLR hybrid‐pol ISAR maintains a similar level of information content compared to full‐pol ISAR while overcoming its drawbacks.
Comprehensive comparisons of different fusion fuels by transfer learning
Authors: Du Qianlei , Wu Fuyuan , Zhang Jie
Published: February 2025

Toward the application of inertial fusion energy, a comprehensive comparison of different fusion materials was made. Using the upgraded multi-fuel fusion package of the radiation-hydrodynamic code MULTI-IFE, datasets of fusion reactions for different fusion fuels were established. It was demonstrated that the D–3He reaction has the potential to achieve a fuel energy gain greater than 100, with an areal density of 4.67 g/cm2 and a temperature of 27 keV. Taking advantage of transfer learning, the pre-built deep neural network of D–T fuel was successfully translated to other materials, including D–3He and D–D fuels. Considering the generation of tritium and helium via D–D reactions, both the D–T and D–3He fuels would be acceptable for the upcoming clean and economic fusion power plants.