bluuebunny/crossref_metadata_2025 huggingface dataset:
How Well Do AMIP6 and CMIP6 Reproduce the Specific Extreme El Niño Teleconnections to North America?
Authors: Beniche Margot , Vialard Jérôme , Lengaigne Matthieu , Hall Nicholas M. J.
Published: January 2025

Extreme El Niño events (e.g., 1982–1983, 1997–1998) are characterized by strong, eastward‐shifted warm Sea Surface Temperature anomalies, and a southward migration of the eastern Pacific Inter‐Tropical Convergence Zone (ITCZ) to the equator. Using an ensemble simulation with a single AMIP6 model, Beniche et al. (2024, https://doi.org/10.1038/s41598‐024‐52580‐9) suggested that such events uniquely yield an eastward shift of the Pacific‐North American (PNA) teleconnection pattern, with specific impacts over North America. Here, we first examine the robustness of these results in 135 ensemble members from 23 different AMIP6 models. The specific, eastward‐shifted extreme El Niño teleconnection pattern is robust in all models but one. It is also highly reproducible across years and ensemble members, due to stronger teleconnection amplitude than that of internal atmospheric noise. This yields specific, predictable impacts (defined as 0.5 STD) such as warm conditions over Northeast America (69% chances), and wet anomalies over California (77%) and Florida (97%). We then show that 26 out of the 42 CMIP6 models we examined reproduce extreme El Niño events, defined as El Niño events associated with large eastern Pacific rainfall anomalies. These models tend to have a weaker cold tongue bias than the rest of CMIP6. Despite a degradation in performance from AMIP6 to CMIP6, 18 out of the 26 selected models capture the specific extreme El Niño teleconnections, albeit with some underestimation of wet anomalies over California and Florida. We end by discussing implications for future North American climate projections based on CMIP6.
Biofilm Development, Senescence, and Benthic Substrate Influence Hyporheic Transport in Streams
Authors: Volponi Sabrina N. , Tank Jennifer L. , Vincent Anna E. S. , Snyder Elise D. , Pruitt Abagael N. , Bolster Diogo
Published: January 2025

Understanding fate and transport within fluvial systems requires accurate modeling of breakthrough curve (BTC) tails, which often display non‐Fickian behaviors. However, it is unclear how anomalous processes relate to the physical and biological characteristics of the stream ecosystem. We use the Stochastic Mobile Immobile model (SMIM) to determine the impact of biofilm colonization among different substrate types on reach‐scale transport velocity (V) and dispersion (D), rate of delivery to the subsurface (Λ), and retention within the subsurface (reflected by power law slope; β). During the summers of 2020 and 2021, we conducted a total of n = 42 Rhodamine‐WT releases in four experimental streams lined with contrasting substrata (sand, pea gravel, cobble, and a three‐way mix) at the Notre Dame Linked Experimental Ecosystem Facility (ND‐LEEF) in Indiana (USA). To explore the effect of biofilm colonization, we conducted releases under artificially shaded, early and late biofilm development, and senescent biofilm conditions. We found that replicated releases under constant conditions consistently reproduced stream BTCs and modeled transport parameters. Biofilm abundance, biofilm status (living vs. dead), and substrate type produced significant variations in BTC shape and transport parameterizations. We found a non‐linear relationship between algal biomass and V, where increases in biomass produced decreases in V at low biomass and increases in V at high biomass. Substrate type also predicted patterns in transport, with sand producing higher V, Λ, and β than larger substrata. These results suggest that substrate type acts as the primary driver and biofilm development the secondary control on transport in these stream systems.
Neural signatures of risk-taking adaptions across health, bipolar disorder, and lithium treatment
Authors: Scholl Jacqueline , Panchal Priyanka , Nelissen Natalie , Atkinson Lauren Z. , Kolling Nils , Saunders Kate EA , Geddes John , Rushworth Matthew FS , Nobre Anna C. , Harrison Paul J. , Harmer Catherine J.
Published: January 2025

Cognitive and neural mechanisms underlying bipolar disorder (BD) and its treatment are still poorly understood. Here we examined the role of adaptations in risk-taking using a reward-guided decision-making task. We recruited volunteers with high (n = 40) scores on the Mood Disorder Questionnaire, MDQ, suspected of high risk for bipolar disorder and those with low-risk scores (n = 37). We also recruited patients diagnosed with BD who were assigned (randomized, double-blind) to six weeks of lithium (n = 19) or placebo (n = 16) after a two-week baseline period (n = 22 for FMRI). Participants completed mood ratings daily over 50 (MDQ study) or 42 (BD study) days, as well as a risky decision-making task and functional magnetic resonance imaging. The task measured adaptation of risk taking to past outcomes (increased risk aversion after a previous win vs. loss, ‘outcome history’). While the low MDQ group was risk averse after a win, this was less evident in the high MDQ group and least so in the patients with BD. During fMRI, ‘outcome history’ was linked to medial frontal pole activation at the time of the decision and this activation was reduced in the high risk MDQ vs. the low risk MDQ group. While lithium did not reverse the pattern of BD in the task, nor changed clinical symptoms of mania or depression, it changed reward processing in the dorsolateral prefrontal cortex. Participants’ modulation of risk-taking in response to reward outcomes was reduced as a function of risk for BD and diagnosed BD. These results provide a model for how reward may prime escalation of risk-related behaviours in bipolar disorder and how mood stabilising treatments may work.
Raptin, a sleep-induced hypothalamic hormone, suppresses appetite and obesity
Authors: Xie Ling-Qi , Hu Biao , Lu Ren-Bin , Cheng Ya-Lun , Chen Xin , Wen Jie , Xiao Yao , An Yu-Ze , Peng Ning , Dai Yu , Xie Genqing , Guo Qi , Peng Hui , Luo Xiang-Hang
Published: January 2025

Sleep deficiency is associated with obesity, but the mechanisms underlying this connection remain unclear. Here, we identify a sleep-inducible hypothalamic protein hormone in humans and mice that suppresses obesity. This hormone is cleaved from reticulocalbin-2 (RCN2), and we name it Raptin. Raptin release is timed by the circuit from vasopressin-expressing neurons in the suprachiasmatic nucleus to RCN2-positive neurons in the paraventricular nucleus. Raptin levels peak during sleep, which is blunted by sleep deficiency. Raptin binds to glutamate metabotropic receptor 3 (GRM3) in neurons of the hypothalamus and stomach to inhibit appetite and gastric emptying, respectively. Raptin-GRM3 signaling mediates anorexigenic effects via PI3K-AKT signaling. Of note, we verify the connections between deficiencies in the sleeping state, impaired Raptin release, and obesity in patients with sleep deficiency. Moreover, humans carrying an RCN2 nonsense variant present with night eating syndrome and obesity. These data define a unique hormone that suppresses food intake and prevents obesity.
Intricacies of human–AI interaction in dynamic decision-making for precision oncology
Authors: Niraula Dipesh , Cuneo Kyle C. , Dinov Ivo D. , Gonzalez Brian D. , Jamaluddin Jamalina B. , Jin Jionghua Judy , Luo Yi , Matuszak Martha M. , Ten Haken Randall K. , Bryant Alex K. , Dilling Thomas J. , Dykstra Michael P. , Frakes Jessica M. , Liveringhouse Casey L. , Miller Sean R. , Mills Matthew N. , Palm Russell F. , Regan Samuel N. , Rishi Anupam , Torres-Roca Javier F. , Yu Hsiang-Hsuan Michael , El Naqa Issam
Published: January 2025

AI decision support systems can assist clinicians in planning adaptive treatment strategies that can dynamically react to individuals’ cancer progression for effective personalized care. However, AI’s imperfections can lead to suboptimal therapeutics if clinicians over or under rely on AI. To investigate such collaborative decision-making process, we conducted a Human–AI interaction study on response-adaptive radiotherapy for non-small cell lung cancer and hepatocellular carcinoma. We investigated two levels of collaborative behavior: model-agnostic and model-specific; and found that Human–AI interaction is multifactorial and depends on the complex interrelationship between prior knowledge and preferences, patient’s state, disease site, treatment modality, model transparency, and AI’s learned behavior and biases. In summary, some clinicians may disregard AI recommendations due to skepticism; others will critically analyze AI recommendations on a case-by-case basis; clinicians will adjust their decisions if they find AI recommendations beneficial to patients; and clinician will disregard AI recommendations if deemed harmful or suboptimal and seek alternatives.
Quantifying the shift of public export finance from fossil fuels to renewable energy
Authors: Censkowsky Philipp , Waidelich Paul , Shishlov Igor , Steffen Bjarne
Published: January 2025

By providing guarantees and direct lending, public export credit agencies (ECAs) de-risk and thus enable energy projects worldwide. Despite their importance for global greenhouse gas emission pathways, a systematic assessment of ECAs’ role and financing patterns in the low-carbon energy transition is still needed. Using commercial transaction data, here we analyze 921 energy deals backed by ECAs from 31 OECD and non-OECD countries (excluding Canada) between 2013 and 2023. We find that while the share of renewables in global ECA energy commitments rose substantially between 2013 and 2023, ECAs remain heavily involved in the fossil fuel sector, with support varying substantially across technologies, value chain stages, and countries. Portfolio ‘greening’ is primarily driven by members of the E3F climate club, impacting deal financing structures and shifting finance flows towards high-income countries. Our results call for reconsidering ECA mandates and strengthening international climate-related cooperation in export finance.
Maize monoculture supported pre-Columbian urbanism in southwestern Amazonia
Authors: Lombardo Umberto , Hilbert Lautaro , Bentley McKenzie , Bronk Ramsey Christopher , Dudgeon Kate , Gaitan-Roca Albert , Iriarte José , Mejía Ramón Andrés G. , Quezada Sergio , Raczka Marco , Watling Jennifer G. , Neves Eduardo , Mayle Francis
Published: January 2025

The Casarabe culture (500–1400 ce), spreading over roughly 4,500 km2 of the monumental mounds region of the Llanos de Moxos, Bolivia, is one of the clearest examples of urbanism in pre-Columbian (pre-1492 ce) Amazonia. It exhibits a four-tier hierarchical settlement pattern, with hundreds of monumental mounds interconnected by canals and causeways1,2. Despite archaeological evidence indicating that maize was cultivated by this society3, it is unknown whether it was the staple crop and which type of agricultural farming system was used to support this urban-scale society. Here, we address this issue by integration of remote sensing, field survey and microbotanical analyses, which shows that the Casarabe culture invested heavily in landscape engineering, constructing a complex system of drainage canals (to drain excess water during the rainy season) and newly documented savannah farm ponds (to retain water in the dry season). Phytolith analyses of 178 samples from 18 soil profiles in drained fields, farm ponds and forested settings record the singular and ubiquitous presence of maize (Zea mays) in pre-Columbian fields and farm ponds, and an absence of evidence for agricultural practices in the forest. Collectively, our findings show how the Casarabe culture managed the savannah landscape for intensive year-round maize monoculture that probably sustained its relatively large population. Our results have implications for how we conceive agricultural systems in Amazonia, and show an example of a Neolithic-like, grain-based agrarian economy in the Amazon.
C-terminal amides mark proteins for degradation via SCF–FBXO31
Authors: Muhar Matthias F. , Farnung Jakob , Cernakova Martina , Hofmann Raphael , Henneberg Lukas T. , Pfleiderer Moritz M. , Denoth-Lippuner Annina , Kalčic Filip , Nievergelt Ajse S. , Peters Al-Bayati Marwa , Sidiropoulos Nikolaos D. , Beier Viola , Mann Matthias , Jessberger Sebastian , Jinek Martin , Schulman Brenda A. , Bode Jeffrey W. , Corn Jacob E.
Published: January 2025

During normal cellular homeostasis, unfolded and mislocalized proteins are recognized and removed, preventing the build-up of toxic byproducts1. When protein homeostasis is perturbed during ageing, neurodegeneration or cellular stress, proteins can accumulate several forms of chemical damage through reactive metabolites2,3. Such modifications have been proposed to trigger the selective removal of chemically marked proteins3–6; however, identifying modifications that are sufficient to induce protein degradation has remained challenging. Here, using a semi-synthetic chemical biology approach coupled to cellular assays, we found that C-terminal amide-bearing proteins (CTAPs) are rapidly cleared from human cells. A CRISPR screen identified FBXO31 as a reader of C-terminal amides. FBXO31 is a substrate receptor for the SKP1–CUL1–F-box protein (SCF) ubiquitin ligase SCF–FBXO31, which ubiquitylates CTAPs for subsequent proteasomal degradation. A conserved binding pocket enables FBXO31 to bind to almost any C-terminal peptide bearing an amide while retaining exquisite selectivity over non-modified clients. This mechanism facilitates binding and turnover of endogenous CTAPs that are formed after oxidative stress. A dominant human mutation found in neurodevelopmental disorders reverses CTAP recognition, such that non-amidated neosubstrates are now degraded and FBXO31 becomes markedly toxic. We propose that CTAPs may represent the vanguard of a largely unexplored class of modified amino acid degrons that could provide a general strategy for selective yet broad surveillance of chemically damaged proteins.
A deep learning analysis for dual healthcare system users and risk of opioid use disorder
Authors: Yin Ying , Workman Elizabeth , Ma Phillip , Cheng Yan , Shao Yijun , Goulet Joseph L. , Sandbrink Friedhelm , Brandt Cynthia , Spevak Christopher , Kean Jacob T. , Becker William , Libin Alexander , Shara Nawar , Sheriff Helen M. , Butler Jorie , Agrawal Rajeev M. , Kupersmith Joel , Zeng-Trietler Qing
Published: January 2025

The opioid crisis has disproportionately affected U.S. veterans, leading the Veterans Health Administration to implement opioid prescribing guidelines. Veterans who receive care from both VA and non-VA providers—known as dual-system users—have an increased risk of Opioid Use Disorder (OUD). The interaction between dual-system use and demographic and clinical factors, however, has not been previously explored. We conducted a retrospective study of 856,299 patient instances from the Washington DC and Baltimore VA Medical Centers (2012–2019), using a deep neural network (DNN) and explainable Artificial Intelligence to examine the impact of dual-system use on OUD and how demographic and clinical factors interact with it. Of the cohort, 146,688(17%) had OUD, determined through Natural Language Processing of clinical notes and ICD-9/10 diagnoses. The DNN model, with a 78% area under the curve, confirmed that dual-system use is a risk factor for OUD, along with prior opioid use or other substance use. Interestingly, a history of other drug use interacted negatively with dual-system use regarding OUD risk. In contrast, older age was associated with a lower risk of OUD but interacted positively with dual-system use. These findings suggest that within the dual-system users, patients with certain risk profiles warrant special attention.
Artificial intelligence for image recognition in diagnosing oral and oropharyngeal cancer and leukoplakia
Authors: Schmidl Benedikt , Hütten Tobias , Pigorsch Steffi , Stögbauer Fabian , Hoch Cosima C. , Hussain Timon , Wollenberg Barbara , Wirth Markus
Published: January 2025

Visual diagnosis is one of the key features of squamous cell carcinoma of the oral cavity (OSCC) and oropharynx (OPSCC), both subsets of head and neck squamous cell carcinoma (HNSCC) with a heterogeneous clinical appearance. Advancements in artificial intelligence led to Image recognition being introduced recently into large language models (LLMs) such as ChatGPT 4.0. This exploratory study, for the first time, evaluated the application of image recognition by ChatGPT to diagnose squamous cell carcinoma and leukoplakia based on clinical images, with images without any lesion as a control group. A total of 45 clinical images were analyzed, comprising 15 cases each of SCC, leukoplakia, and non-lesion images. ChatGPT 4.0 was tasked with providing the most likely diagnosis based on these images in scenario one. In scenario two the image and the clinical history were provided, whereas in scenario three only the clinical history was given. The results and the accuracy of the LLM were rated by two independent reviewers and the overall performance was evaluated using the modified Artificial Intelligence Performance Index (AIPI. In this study, ChatGPT 4.0 demonstrated the ability to correctly identify leukoplakia cases using image recognition alone, while the ability to diagnose SCC was insufficient, but improved by including the clinical history in the prompt. Providing only the clinical history resulted in a misclassification of most leukoplakia and some SCC cases. Oral cavity lesions were more likely to be diagnosed correctly. In this exploratory study of 45 images of oral lesions, ChatGPT 4.0 demonstrated a convincing performance for detecting SCC only when the clinical history was added, whereas Leukoplakia was detected solely by image recognition. ChatGPT is therefore currently insufficient for reliable OPSCC and OSCC diagnosis, but further technological advancements may pave the way for the use in the clinical setting.
Spatial accuracy of dose delivery significantly impacts the planning target volume margin in linear accelerator-based intracranial stereotactic radiosurgery
Authors: Takahashi Yuta , Oshika Riki , Tachibana Rie , Shirai Katsuyuki , Asakura Hiroshi , Miyazaki Masayoshi , Sagawa Tomohiro , Takahashi Shinichi , Kuwae Tsunekazu , Kojima Hironori , Nishiyama Shiro , Nemoto Hikaru , Ishihara Yoshitomo , Umeda Mariko , Kijima Kotaro , Kobayashi Daisuke , Suzuki Keiji , Nozawa Yuki , Hoshida Kento , Kitagawa Tomoki , Endo Hiromitsu , Matsunaga Yuki , Itagaki Hiroya , Ishida Mayumi , Kanahara Shigeru , Horita Ryo , Hori Daisuke , Tachibana Hidenobu
Published: January 2025

The impact of three-dimensional (3D) dose delivery accuracy of C-arm linacs on the planning target volume (PTV) margin was evaluated for non-coplanar intracranial stereotactic radiosurgery (SRS). A multi-institutional 3D starshot test using beams from seven directions was conducted at 22 clinics using Varian and Elekta linacs with X-ray CT-based polymer gel dosimeters. Variability in dose delivery accuracy was observed, with the distance between the imaging isocenter and each beam exceeding 1 mm at one institution for Varian and nine institutions for Elekta. The calculated PTV margins for Varian and Elekta linacs that could cover the gross tumor volume with 95% probability at 95% of the institutions were 2.3 and 3.5 mm, respectively, in the superior–inferior direction. However, with multifactorial system management (i.e., high-accuracy 3D dose delivery with rigorous linac quality assurance, strict patient immobilization, and high intra-fractional positioning accuracy), these margins could be reduced to 1.0 mm and 1.5 mm, respectively. The findings indicate significant millimeter-level variability in 3D dose delivery accuracy among linacs installed in clinical settings. Thus, maximizing a linac’s 3D dose delivery accuracy is essential to achieve the required PTV margin in intracranial SRS.
Sanger validation of WGS variants
Authors: Kopernik Arina , Sayganova Mariia , Zobkova Gaukhar , Doroschuk Natalia , Smirnova Anna , Molodtsova-Zolotukhina Daria , Sagaydak Olesya , Ryzhkova Oxana , Kutsev Sergey , Groznova Olga , Melikyan Lyusya , Bondarchuk Elizaveta , Woroncow Mary , Albert Eugene , Bogdanov Viktor , Volchkov Pavel
Published: January 2025

With the development of next-generation sequencing (NGS) technologies it became possible to simultaneously analyze millions of variants. Despite the quality improvement, it is generally still required to confirm the variants before reporting. However, in recent years the dominant idea is that one could define the quality thresholds for “high quality” variants which do not require orthogonal validation. Despite that, no works to date report the concordance between variants from whole genome sequencing and their gold-standard Sanger validation. In this study we analyzed the concordance for 1756 WGS variants in order to establish the appropriate thresholds for high-quality variants filtering. Resulting thresholds allowed us to drastically reduce the number of variants which require validation, to 4.8% and 1.2% of the initial set for caller-agnostic (DP, AF) and caller-dependent (QUAL) thresholds, respectively.
Resistance-breaking strains of tomato spotted wilt virus hamper photosynthesis and protein synthesis pathways in a virus accumulation-dependent manner in Sw5-carrying tomatoes
Authors: Prigigallo Maria Isabella , Picciotti Ugo , Bubici Giovanni
Published: January 2025

Tomato spotted wilt virus (TSWV; Orthotospovirus tomatomaculae) is one of the major horticultural threats due to its worldwide distribution and broad host range. In Italy, TSWV is widely spread in tomato (Solanum lycopersicum) crops and causes severe yield losses. In the last decades, several tomato varieties carrying the Sw-5b gene for resistance to TSWV have been released. We investigated the interaction between Sw-5b-carrying tomatoes and Sw5-Resistance-Breaking (SRB) TSWV to elucidate the molecular mechanisms underlying resistance breakage. Transcriptome sequencing (RNA-Seq) was used to analyze 18 tomato leaf samples collected from a field crop naturally infected by SRB TSWV in Italy. An increase in virus accumulation level in leaf tissues (titer) resulted in a higher number of differentially expressed genes (DEGs), ranging from 33 to 44% of the whole transcriptome, when the samples with the lowest and the highest virus titer were compared to the asymptomatic sample, respectively. Photosynthesis and protein biosynthesis were the main down-regulated biological processes, while enzyme families such as oxidoreductases and transferases, genes related to the response to biotic stimuli, solute transport, and vesicle trafficking were overall up-regulated. Remarkably, the expression of around 45% of genes (ca. 14000) of the whole transcriptome was significantly (P < 0.05) correlated (positively or negatively) to the virus titer, and in 6% of cases (about 2000 genes) the correlation was high (i.e., absolute value of R2 > 0.85). This phenomenon was also verified on 15 genes by a quantitative reverse transcription PCR assay on a greenhouse experiment with a different Sw-5b-tomato variety artificially inoculated with another SRB TSWV strain. In conclusion, the tomato transcriptome was considerably rearranged upon TSWV infection, with deregulation of photosynthesis, protein biosynthesis, and induction of defense pathways. Finally, this research demonstrated that the magnitude of transcriptional changes was proportional to the virus accumulation level in the leaves.
Identification of novel 7-hydroxycoumarin derivatives as ELOC binders with potential to modulate CRL2 complex formation
Authors: Kim Yonghyeok , Baek Seon Jeong , Yoon Eun-Kyung , Choi Minhee , Kim Jung-Hoon , Kim Kyungtae , Park Chi Hoon , Lee Byung Il
Published: January 2025

The VHL-containing cullin-RING E3 ubiquitin ligase (CRL2VHL) complex is an E3 ligase commonly used in targeted protein degradation (TPD). Hydroxyproline-based ligands that mimic VHL substrates have been developed as anchor molecules for proteolysis-targeting chimeras (PROTACs) in TPD. To expand the chemical space for VHL ligands, we conducted fragment screening using VHL–ELOB–ELOC (VBC) proteins. We found that certain 7-hydroxycoumarin derivatives (7HCs), rather than VHL, would bind to the ELOC component of the VBC complex. The 7HC binding site overlapped with the CUL2 binding interface on ELOC but did not overlap with the CUL5 binding interface, suggesting that 7HCs may influence the formation of CRL2 but not CRL5. Although the binding affinities of these 7HCs to the VBC complex were relatively low, they represent novel and promising foundational agents for the development of chemical probes or inhibitors that target ELOC-containing CRLs.
SLC25A1 and ACLY maintain cytosolic acetyl-CoA and regulate ferroptosis susceptibility via FSP1 acetylation
Authors: Li Wei , Han Jing , Huang Bin , Xu Tengteng , Wan Yihong , Luo Dan , Kong Weiyao , Yu Ying , Zhang Lei , Nian Yong , Chu Bo , Yin Chengqian
Published: January 2025

Ferroptosis, an iron-dependent form of programmed cell death characterized by excessive lipid hydroperoxides accumulation, emerges as a promising target in cancer therapy. Among the solute carrier (SLC) superfamily, the cystine/glutamate transporter system antiporter components SLC3A2 and SLC7A11 are known to regulate ferroptosis by facilitating cystine import for ferroptosis inhibition. However, the contribution of additional SLC superfamily members to ferroptosis remains poorly understood. Here, we use a targeted CRISPR-Cas9 screen of the SLC superfamily to identify SLC25A1 as a critical ferroptosis regulator in human cancer cells. SLC25A1 drives citrate export from the mitochondria to the cytosol, where it fuels acetyl-CoA synthesis by ATP citrate lyase (ACLY). This acetyl-CoA supply sustains FSP1 acetylation and prevents its degradation by the proteasome via K29-linked ubiquitin chains. K168 is the primary site of FSP1 acetylation and deacetylation by KAT2B and HDAC3, respectively. Pharmacological inhibition of SLC25A1 and ACLY significantly enhances cancer cell susceptibility to ferroptosis both in vitro and in vivo. Targeting the SLC25A1-ACLY axis is therefore a potential therapeutic strategy for ferroptosis-targeted cancer intervention.
3D bioprinted poly(lactic acid) scaffolds infused with curcumin-loaded nanostructured lipid carriers: a promising approach for skin regeneration
Authors: Vijayaraghavan Renuka , Vidyavathi M. , Suresh Kumar R. V. , Loganathan Sravanthi , Valapa Ravi Babu
Published: January 2025

3D bioprinted PLA scaffolds with curcumin-loaded lipid carriers show antimicrobial activity and promote skin regeneration, offering promise for wound healing.
One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones
Authors: Hu Yue-Hong , Chen Yu-Ting , He Zhi-Juan , Gan Zhang-Yan , Zhang Ling-Hui , Xi Wen-Jie , Li Baosheng , Zhang Fu-Min
Published: January 2025

A one-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction has been explored for the synthesis of the unprecedented 2,3-disubstituted-5-quaternary-4-amidocyclopent-2-enone and 2-quaternary-3-amidoindanones.
Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore
Authors: Ravi Sasikala , Priyadharsan R. Rameshbabu , Karthikeyan Subramanian , Pannipara Mehboobali , Al-Sehemi Abdullah G. , Moon Dohyun , Anthony Savarimuthu Philip
Published: January 2025

A conformationally flexible triphenylamine of 4-(diphenylamino)benzaldehyde displayed a subtle change in the crystals while crystallizing from different solvents and showed tunable solid-state fluorescence.
Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities
Authors: Israfilov Nizami , Kyritsakas Nathalie , Jouaiti Abdelaziz , Ferlay Sylvie
Published: January 2025

Two new coordination polymers (1 (2D) and 2 (3D)), based on the use of a V-shaped ligand L (9,9-bis(4-carboxyphenyl)fluorene) combined with Cu(NO3)2 or Zn(NO3)2, were synthesized and structurally characterized by single-crystal X-ray diffraction.
First-principles study of the effect of Bi content on the photocatalytic performance of bismuth bromide oxide-based catalysts
Authors: Zhang Jing , Liu Yang , Xin Shiheng , Lin Shihe , Zhang Xin , Wang Jiaxin , Guo Xiang , Zhang Huichao , Kumar Ashish , Ramachandran Krishnamoorthy , Subramaniam Vadivel , Ma Hongchao , Zhang Fuchun , Zhang Qiang , Liu Xinghui
Published: January 2025

A comprehensive analysis of BixOyBrz has been carried out using first-principles density-functional theory (DFT) to explore the electronic structure, energy band structure, and essential properties related to its photocatalytic performance.
An ab initio approach to investigate the impact of Hubbard U correction on the physical properties of Gd2NiMnO6 double perovskite
Authors: Arafat Md. Yasir , Akter Sweety , Shanto Md. Ferdous , Hosen M. J. , Bhuyan M. D. I.
Published: January 2025

In this investigation, our research has investigated the impact of the Hubbard U parameter on the physical properties of Gd2NiMnO6 (GNMO) systematically.
Influence of internal electrostatics on reduction potentials in amine-ligated bimetallic copper complexes
Authors: Saini Prateek , Gupta Shubham , Ramakrishnan Srinivasan
Published: January 2025

In a series of bis-Cu(ii) complexes, we quantify the distance dependent electrostatic contributions to the reduction potential, which vary linearly as the reciprocal of the Cu–Cu distance (rCu–Cu), and span more than 0.5 V depending on rCu–Cu.
Regulation of the oxygen vacancies of WOx for highly efficient catalytic epoxidation of cyclooctene
Authors: Wang Yunwei , Wang Yingyong , Yin Zhimin , Li Xincheng , Gu Xianmo , Wang Ruiyi , Zheng Zhanfeng
Published: January 2025

The oxygen vacancy of WOx was effectively regulated via reduction of inactivated WO2.72, which improved the adsorption and activation of H2O2 to hydroperoxide-coordinated HOO–WOx species and thereby promoted the catalytic epoxidation of cyclooctene.
Doping trace cerium in ZSM-48 in situ during hydrothermal synthesis for efficient hydroisomerization of a long-chain n-alkane
Authors: Zhang Wenjun , Zhang Mingwei , Liu Linlin , Tang Songzu , Wang Li , Zhang Xiangwen , Li Guozhu
Published: January 2025

Doping trace cerium in ZSM-48 in situ during hydrothermal synthesis for efficient hydroisomerization.
Potential-driven sulfate coordinated active configuration for electrochemical C–H bond activation
Authors: Chen Jui-Hsien , Chu You-Chiuan , Lin Tong , Tso Cheng-Han , Wang Guan-Bo , Hsu Chia-Shuo , Chen Hao Ming , Chen Hsiao-Chien
Published: January 2025

This study develops a vanadium phosphate nanosheet catalyst for methane electro-oxidation to methyl bisulfate in sulfuric acid, overcoming overoxidation and low conversion.
Understanding the language of molecules: predicting pure component parameters for the PC-SAFT equation of state from SMILES
Authors: Winter Benedikt , Rehner Philipp , Esper Timm , Schilling Johannes , Bardow André
Published: January 2025

The SPT-PC-SAFT model predicts PC-SAFT parameters from the SMILES code of a molecule. High accuracy is achieved by training the parameters of the transformer model directly on experimental vapor pressure and density data.
Application of a reversible thermochromic Co-MOF in smart windows
Authors: Yang Xuan , Yu Zesen , Jiang Hedong , Guo Huanhuan , Sun Jian , Li Jiake , Zhu Hua , Wang Yanxiang , Guo Pingchun
Published: January 2025

A Co-BTC MOF-based smart window utilizing reversible thermochromism via coordination water regulates indoor solar irradiation, demonstrating potential for energy-efficient applications.
Out of the lab and into the environment: the evolution of single particle ICP-MS over the past decade
Authors: Goodman Aaron J. , Benner Brianna F. , Montaño Manuel D.
Published: January 2025

In the past 10 years, single particle ICP-MS has grown into a powerful technique for nanoanalysis, capable of discerning naturally occurring nanoparticles in complex matrices when paired with increasingly sophisticated data analysis tools.
Exploring enzyme–MOF (metal–organic framework) catalytic systems: trade-offs between enzyme activity and MOF stability
Authors: Tang Huayang , Fan Dexun , Chen Yian , Han Shuangyan
Published: January 2025

An overview of enzyme–MOF catalytic systems emphasizing the importance of striking a suitable balance between MOF stability and enzyme activity, with insights into immobilization strategies and advanced design approaches for green chemistry.
Biosynthesis of retinyl esters in Yarrowia lipolytica through metabolic engineering and fermentation condition optimization
Authors: Zhang Jin , Sun Lingxuan , Yang Wenli , Xu Huangwei , Sheng Juzheng , Liu Mengmeng , Qi Qingsheng , Hou Jin
Published: January 2025

Through metabolic engineering and fermentation optimization, Yarrowia lipolytica was engineered to produce 5.89 g L−1 retinol and 8.18 g L−1 retinyl esters. Our work lays the foundation for the sustainable bioproduction of retinoids.
Therapeutic systems based on natural gut microbiota modulators: the latest advances in the treatment of inflammatory bowel disease
Authors: Guan Zelin , Niu Peilin , Tan Qichao , Wang Yidong , Deng Shujing , Wang Danyang , Dong Kai , Xing Jianfeng , You Cuiyu
Published: January 2025

Therapeutic systems based on natural gut microbiota modulators for IBD treatment (EVs: extracellular vesicles; metabolites: gut microbiota metabolites).
Removal of volatile organic compounds using a membrane catalytic process involving a [BMIM]PF6 ionic liquid membrane and visible light-driven N–La–TiO2 photocatalysts
Authors: Meng Shuang , Zhuang Yan , Yang Xue , Guo Dongxuan , Li Jinlong
Published: January 2025

A novel membrane catalytic process, composing [BMIM]PF6 supported ionic liquid membrane and N-doped La–TiO2 photocatalysts, is constructed to efficiently remove harmful VOCs.
Coordination effect-adjusted Co in a bimetallic zeolite imidazolate framework for efficient oxygen electrocatalysts
Authors: Li Luyifan , Li Xian , Luo Wenpeng , Huang Yangbo , Yan Xuemin , Yang Hongyu
Published: January 2025

This study develops a new catalyst derived from organic ligand-regulated bimetallic ZIFs, exhibiting efficient ORR performance.
Influence of particle size on the interfacial thermodynamic properties of cubic nanoparticles: theoretical and experimental research
Authors: Cheng Zuohui , Duan Huijuan , Jing Jiaxiu , Zhao Jinzhong , Xue Yongqiang , Wang Yuantao , Hu Lingnan , Yang Yuebo
Published: January 2025

Side length has a significant influence on the interfacial thermodynamic properties of nanoparticles. As side length decreases, interfacial thermodynamic properties increase, while (∂Es/∂T)p decreases (absolute value increases).
Synthesis of phosphorus-free thiazole-based organomolybdate as a high-performance lubricant additive
Authors: Sun Qihao , Dong Junyang , Zhang Enhui , Ma Wenwen , Li Weimin , Yang Xiaolong
Published: January 2025

Synthesis of a novel phosphorus-free organic molybdate and its tribological performance as an additive in lithium grease.
Exploring lipase regioselectivity: synthesis of regioisomeric acetoxyhydroxynaphthalenes
Authors: Salvatti Brunno A. , Lima Isabela T. , Pacheco Caio M. , de Souza Rodrigo O. M. A. , Chagas Marcelo A. , Moraes Adolfo H. , de Miranda Amanda S.
Published: January 2025

Regioisomeric acetoxyhydroxynaphthalene monoester building blocks can be synthesized using commercial lipases.
Photo-induced decarboxylative coupling reaction between aliphatic N-hydroxyphthalimide esters and terminal 2-trifluoromethylalkenes
Authors: Chen Man , Wang Chaoyu , Xie Lang , Mao Ting , Xiao Long , Wang Ze , Han Wen-Yong , Liu Ping , Jia Jia
Published: January 2025

Aliphatic N-hydroxyphthalimide esters undergo a photoinitiated decarboxylative coupling reaction with terminal 2-trifluoromethyl alkenes leading to the synthesis of bioactive molecules with strong antitumor activity.
Chemo- and stereoselective synthesis of Z-alkenes via electrochemical Pd-catalyzed alkyne reduction
Authors: Zhang Haoxiang , Cui Wentao , Jin Xiaoyan , Yang Yuhuan , Zhang Xiao
Published: January 2025

An electrocatalytic method for selective hydrogenation of alkynes to Z-alkenes is introduced, demonstrating high chemo- and stereoselectivity. The mild nature and successful gram-scale experiments highlight its industrial application potential.
Correction: Total syntheses of Kavaratamide A and 5-epi-Kavaratamide A
Authors: Ren Tieshun , Lv Ke , Hu Fangzhong , Chen Yue
Published: January 2025

Correction for ‘Total syntheses of Kavaratamide A and 5-epi-Kavaratamide A’ by Tieshun Ren et al., Org. Biomol. Chem., 2025, https://doi.org/10.1039/d4ob01409j.
Poly(butylene succinate) filaments for fused deposition modelling (FDM) 3D-printing
Authors: Chen Yong , Xu Jielin , Chen Ye , Wang Chaosheng , Wang Huaping , Wu Jing
Published: January 2025

We adopted an in situ branch modification strategy to improve the melt processing of PBS. The filament that meets the needs of FDM 3D printing has been successfully prepared, and a single PBS material was used to achieve a 3D printing product.
FeCl3 promoted cycloisomerization of 1,6-dienes
Authors: Du Zhongjian , Ji Chenlei , Wang Xu , Wang Zhenyu , Guo Zhenguo , You Yang'en
Published: January 2025

A highly selective cycloisomerization of 1,6-dienes by FeCl3 catalysis has been developed.
Novel mixed matrix membranes with indium-based 2D and 3D MOFs as fillers and polysulfone for CO2/CH4 mixed gas separation
Authors: Jonnalagedda Aditya , Kuncharam Bhanu Vardhan Reddy
Published: January 2025

Mixed gas separation study with novel mixed matrix membranes (MMM) fabricated with 3D (MIL-68(In)–NH2) and 2D (In(aip)2) indium-based MOFs. Prepared MMMs showed good CO2/CH4 separation and long-term stability at lower pressure.
Synthesis of an exfoliated kaolinite–poly(urea–formaldehyde) nanocomposite
Authors: Tatang Hervé Barye , Mache Jacques Richard , Ngally Sabouang Cyrill Joël , Razafitianamaharavo Angelina , Gley Renaud , Kong Sakeo , Mbey Jean Aimé
Published: January 2025

Kaolinite–poly(urea–formaldehyde) nanocomposite was successfully prepared under ambient conditions, by simply immersing kaolinite-urea complex in formaldehyde. A self-healing behavior is observed for the polymer within the nanocomposite.
Molecular Aharonov–Bohm-type interferometers based on porphyrin nanorings
Authors: Cheng Chi Y. , Harari Gil , Rončević Igor , Peralta Juan E. , Anderson Harry L. , Wibowo-Teale Andrew M. , Hod Oded
Published: January 2025

A goal of molecular electronics and spintronics is to create molecular devices that change their conductance in response to external stimuli.
Distal C–H functionalization of alkoxyarenes through organic photoredox-catalyzed radical–radical coupling
Authors: Goto Yamato , Ohmiya Hirohisa
Published: January 2025

We developed a distal C–H functionalization of electron-rich arenes such as alkoxyarenes using diverse coupling partners through organic photoredox catalysis.
Recent developments in Ni-based layered double hydroxides extracted from waste for oxygen evolution reactions: a review on the pursuit for sustainable green hydrogen
Authors: Chowdhury Priyadarshi Roy , Medhi Himani , Bhattacharyya Krishna G. , Hussain Chaudhery Mustansar
Published: January 2025

Waste-derived Ni-based layered double hydroxides for sustainable generation and utilization of green hydrogen.
Theoretical study of the impact of dilute nanoparticle additives on the shear elasticity of dense colloidal suspensions
Authors: Chaki Subhasish , Román-Manso Benito , Senatus Larissa , Lewis Jennifer A. , Schweizer Kenneth S.
Published: January 2025

This work investigates the elastic shear modulus of size-asymmetric, dense colloid–nanoparticle mixtures. The results highlight connections between microstructure and elasticity, with relevance to direct ink printing.
Measuring interfacial strength of ultra-soft materials with needle-induced cavitation
Authors: Fu Hongbo , Crosby Alfred J.
Published: January 2025

Needle-induced cavitation (NIC) has been used to characterize the mechanical properties of ultra-soft interfaces.
Emerging nanomaterials for the detection of per- and poly-fluorinated substances
Authors: Manayil Parambil Ajith , Priyadarshini Eepsita , Paul Shounik , Bakandritsos Aristides , Sharma Virender K. , Zbořil Radek
Published: January 2025

This review explores the advancements in PFAS nano-sensor technology, detailing their molecular interactions, cutting-edge materials, and challenges, with an aim to improve the detection of PFAS for human and environmental safety.
Converting waste poly(ethylene terephthalate) into hierarchical porous carbon towards a high-performance supercapacitor
Authors: Wang Kaile , Li Ruiyang , Zeng Xuesen , Song Pingan , Sun Jisheng , Song Rongjun
Published: January 2025

Hierarchical porous carbon (HPC) was prepared via a one-step mild and efficient pyrolysis of waste polyethylene terephthalate (PET). The resultant HPC-700 showed an exceptionally high specific capacitance and a high cycling stability.
Collaborative reconstruction of FeOOH/FeNiCo-LDH heterogeneous nanosheets for enhancing anion exchange membrane seawater electrolysis
Authors: Luo Yixing , Yang Yang , Tian Yakun , Wu Qingsheng , Lin Wen-Feng , Wen Ming
Published: January 2025

FeOOH/FeNiCo-LDH/HCNC, by virtue of the reconstruction-generated highly active and stable FeNiCoOOH together with the conductive honeycomb-channel carbon, exhibits superior OER performance for highly-stable industrial-level seawater electrolysis.
High-entropy structure design of transition metal dichalcogenides for improved electromagnetic wave absorption performance
Authors: Xu Yefei , Li Mian , Ding Nengwen , Huang Qing
Published: January 2025

High-entropy structure design has great potential in improving the electromagnetic wave absorption properties of TMDs.
A reconstructed, surface S-coordinated gas-penetrable Cd hollow fiber for selective CO2 electroreduction to CO at high current density
Authors: Meng Zhe , Sun Yongxing , Wang Yuyu , Ma Jinyu , Wang Fang , Wu Guoqiang , Wang Kang , Zhang Zhengguo , Min Shixiong
Published: January 2025

A reconstructed, surface S-coordinated Cd hollow fiber (s-Cd HF) gas-penetrable electrode is developed for high-current-density CO2 electroreduction to CO with high selectivity and stability.
Morphological insights in oxidative sensitive nanocarrier pharmacokinetics, targeting, and photodynamic therapy
Authors: Ding Haitao , Su Liping , Xie Zhendong , Castano Aroa Duro , Li Yunkun , Perez Lorena Ruiz , Chen Junyang , Luo Kui , Tian Xiaohe , Battaglia Giuseppe
Published: January 2025

Nanoparticle (NP) morphology holds significant importance in nanomedicine, particularly concerning its implications for biological responses.
Tuning liquid crystal properties with 0D carbon dots: exploring the impact of functionalization of carbon dots
Authors: Mishra Shweta , Pareek Parsoon , Sarma Ishaan , Manjuladevi V. , Gupta Raj K. , Singhal Rahul
Published: January 2025

CD decreases conductivity whereas ODACD increases conductivity of the NLC matrix. CD increases elastic constant ratio better as compared to ODACD in NLC.
Effect of charge distribution at nitrogen atoms of polyaniline copolymers on spin-dependent transport: experimental analysis and density functional theory calculations
Authors: Chen Jingyue , Xie Wenhao , Qin Lu , Yang Ming , Gu Hongbo
Published: January 2025

The charge distribution at nitrogen atoms of polyaniline significantly affects the spin-dependent transport properties.
Novel Ti@COF catalysts for the preparation of ultra-high molecular weight linear polyethylene
Authors: Li Hao-Tian , Gu Jie , Shu Nian-Zu , He Guo-Long , Zheng He-Gen , Zhang Chuan-Lei
Published: January 2025

A novel Ti@COF catalyst is employed for ethylene polymerization reactions. Linear polyethylene with a high relative molecular mass (Mw = 1.57 × 106 g mol−1) was synthesized at a low ethylene pressure (0.5 MPa).
Correction: One-pot synthesis of ordered mesoporous transition metal–zirconium oxophosphate composites with excellent textural and catalytic properties
Authors: Miao Zhichao , Zhao Huahua , Yang Jian , Zhao Jun , Song Huanling , Chou Lingjun
Published: January 2025

Correction for ‘One-pot synthesis of ordered mesoporous transition metal–zirconium oxophosphate composites with excellent textural and catalytic properties’ by Zhichao Miao et al., New J. Chem., 2015, 39, 1322–1329, https://doi.org/10.1039/C4NJ01227E.
Medical data analysis and transaction type prediction using machine learning and blockchain technology
Authors: Maheshwari Shruti , Jain Pramod Kumar , Al‐Sharify Noor T. , Ghosh Swagata , Dubey Dhanraj , Kaur Gagandeep
Published: January 2025

In the world of healthcare, joining machine learning with block chain tech offers a smart path for future predictions. The study aims on guessing what kinds of transactions happen in healthcare data stored on a block chain. Machine learning is used to sort these transactions right. This helps make healthcare tasks work on their own and do better. Health data is taken from block chains, looked at it closely, and ran various algorithms on it. Using features such as operation, date, and symbolic indicators, logistic regression, decision tree, random forest, and support vector machine are applied to classify transaction types. The decision tree algorithm achieved the highest accuracy at 89.29%, followed by random forest at 67.86%, logistic regression at 33.93%, and support vector machine at 39.29%. The findings demonstrate the effectiveness of machine learning in improving transaction classification within secure, decentralized medical data environments.
Topology‐aware tensor decomposition for meta‐graph learning
Authors: Yang Hansi , Yao Quanming
Published: January 2025

Heterogeneous graphs generally refer to graphs with different types of nodes and edges. A common approach for extracting useful information from heterogeneous graphs is to use meta‐graphs, which can be seen as a special kind of directed acyclic graph with same node and edge types as the heterogeneous graph. However, how to design proper meta‐graphs is challenging. Recently, there have been many works on learning suitable meta‐graphs from a heterogeneous graph. Existing methods generally introduce continuous weights for edges that are independent of each other, which ignores the topological structures of meta‐graphs and can be ineffective. To address this issue, the authors propose a new viewpoint from tensor on learning meta‐graphs. Such a viewpoint not only helps interpret the limitation of existing works by CANDECOMP/PARAFAC (CP) decomposition, but also inspires us to propose a topology‐aware tensor decomposition, called TENSUS, that reflects the structure of DAGs. The proposed topology‐aware tensor decomposition is easy to use and simple to implement, and it can be taken as a plug‐in part to upgrade many existing works, including node classification and recommendation on heterogeneous graphs. Experimental results on different tasks demonstrate that the proposed method can significantly improve the state‐of‐the‐arts for all these tasks.