bluuebunny/crossref_metadata_2025 huggingface dataset:
Supramolecular Switching of Liquid‐Liquid Phase Separation for Orchestrating Enzyme Kinetics
Authors: Wang Deyi , Zhou Lingying , Zhang Xiaokun , Zhou Zixiang , Huang Zehuan , Gao Ning
Published: January 2025

Dynamic liquid‐liquid phase separation (LLPS) of intrinsically disordered proteins (IDPs) and associated assembly and disassembly of biomolecular condensates play crucial roles in cellular organization and metabolic networks. These processes are often regulated by supramolecular interactions. However, the complex and disordered structures of IDPs, coupled with their rapid conformational fluctuations, pose significant challenges for reconstructing supramolecularly‐regulated dynamic LLPS systems and quantitatively illustrating variations in molecular interactions. Inspired by the structural feature of IDPs that facilitates LLPS, we designed a simplified phase‐separating molecule, Nap‐o‐Nap, consisting of two naphthalene moieties linked by an ethylene glycol derivative. This compound exhibits LLPS under physiological conditions, forming coacervate microdroplets that undergo multiple cycles of disassembly and reassembly upon stoichiometric addition of Cucurbit[7]uril and Adamantane, respectively, based upon competitive host–guest interactions. Importantly, such reversible control offers a unique route to quantify entropically dominant nature (ΔS=14.0 cal ⋅ mol−1 ⋅ K−1) within the LLPS process, in which the binding affinity of host–guest interactions (ΔG=−14.9 kcal ⋅ mol−1) surpass that of the LLPS of Nap‐o‐Nap (ΔG=−2.1 kcal ⋅ mol−1), enabling the supramolecular regulation process. The supramolecularly switched LLPS, along with selective client recruitment and exclusion by resultant coacervates, provides a promising platform for either boosting or retarding enzymatic reactions, thereby orchestrating biological enzyme kinetics.
The Interplay of Methylidyne and Carbido Species: Modeling a Fundamental Step in the Fischer–Tropsch Synthesis
Authors: Burt Liam K. , Hill Anthony F.
Published: January 2025

Heterobimetallic μ‐methylidyne complexes [WPt(μ2‐CH)(CO)2L2(Tp*)], where L2=(PPh3)2, (PPh3)(CO), (dppe), (PPh3)(CNC6H2Me3), have been obtained via the intermediacy of transient hydrido‐μ‐carbido complexes that undergo carbido‐hydrido coupling to model a fundamental step in the proposed mechanism for Fischer–Tropsch synthesis.
Pd/C as a Heterogeneous Catalyst for Ligand‐Free Homocoupling Reaction of Halo Compounds in Water and Total Synthesis of Daclatasvir
Authors: Mhate Mouzma , Khanra Moumita , Saharia Nilotpal , Radhakrishnanand P. , Ravichandiran V. , Swain Sharada Prasanna
Published: January 2025

The United Nations sustainable development goals 9 and 12 discuss about adoption of sustainable and green chemistry concept for manufacturing of pharmaceuticals and chemicals. Water is universally accepted as a green solvent for organic reactions, and solvent‐free reactions are considered as green, sustainable methods for synthesis of heterocyclic compounds. Pd/C is a heterogeneous, recyclable catalyst and has been used for several cross‐coupling reactions. A ligand‐free Pd/C‐catalyzed homocoupling reaction of haloarenes in water is reported. The reaction condition is mild (reaction temp. 40°C), and the desired products were isolated in moderate to good yield (56%–81%). Activation of phase transfer catalyst under microwave irradiation reduced the catalyst loading and reaction time (from 24 h to 30 min). The major advantages of this method over existing methods are (i) ligand‐free homocoupling reaction, (ii) lower Pd/C catalyst loading, and (iii) use of water as a green and sustainable solvent. This reaction along with continuous‐flow bromination, and amine deprotection reactions were successfully applied for synthesis of antiviral drug daclatasvir.
Activin β Is Critical for Larval‐Pupal Transition in the 28 Spotted Lady Beetle Henosepilachna vigintioctopunctata
Authors: Fu Kai‐Yun , Chen Feng , Jin Lin , Li Guo‐Qing
Published: January 2025

The activin cascade is activated when a pair of extracellular ligand (Myoglianin, Myo; Activin β, Actβ; Dawdle, Daw) binds to two pairs of transforming growth factor β (TGF) serine‐threonine receptor kinases, TGF‐β type I (Baboon, Babo) and II receptors. However, the roles of activin way have not well been explored in non‐Drosophilid insects. In the present paper, we compared the functions of Activin β (Actβ) ligand and receptor isoform BaboB in post‐embryonic development in a defoliating ladybird Henosepilachna vigintioctopunctata. RNA interference (RNAi) for Hvactβ but not Hvbabob upregulated juvenile hormone signal, reduced ecdysone pathway and impaired larval‐pupal transformation. The arresting Hvactβ RNAi larvae formed pupa‐specific black markings below the larval exuviae. Thus, the impairment of metamorphosis may be caused by failing to complete ecdysis behavior due to nonfunctional muscles. Consistently, larval body sizes were smaller and adult appendages were shorter in the Hvactβ RNAi larvae, in contrast to those in the Hvbabob depleted beetles. Conversely, knockdown of Hvbabob but not Hvactβ changed the pigmentation of adult elytra. Our results suggest that Actβ exerts regulative roles in JH production, ecdysteroidogenesis and organ remodeling, thus contributing to modulate the larva‐pupa‐adult transformation, through a BaboB independent way in H. vigintioctopunctata.
Fabrication of Stable Ru‐Doped Ni0.95Se Nanostructures for Photovoltaic Coupled Electrochemical Water Splitting in Alkaline Medium
Authors: Boruah Anakshi , Priyadarshi Shubham , Ghosh Swarup , Kumar Rajneesh , Chowdhury Joydeep , Pande Surojit
Published: January 2025

Development of a competent and stable electrocatalyst coupled with photovoltaic system for the generation of green hydrogen, can be a plausible answer to the existing energy crisis. Herein, we have developed Ru doped Ni0.95Se via hydrothermal method as a bifunctional catalyst for overall water splitting coupled with photovoltaic system. The developed pristine and doped samples were thoroughly characterized by various techniques. The pristine Ni0.95Se and the optimized Ru0.1Ni0.95Se system required a potential of −0.470 and −0.318 V vs. RHE, respectively to acquire a current density of 50 mA cm−2 for HER. The rapid kinetics of the optimized Ru0.1Ni0.95Se is illustrated by the Tafel slope wherein the pristine Ni0.95Se has a Tafel slope value of 172.2 mV/dec, and the Ru0.1Ni0.95Se catalyst has 102 mV/dec. The bifunctional electrocatalyst of Ru0.1Ni0.95Se exhibits very high stability (7 days) in an alkaline medium. Density functional calculations show Ru0.1Ni0.95Se has −0.69
value indicating its remarkable stability. To improve the overall activity and stability of the electrocatalyst Ru dopant is introduced as it tunes the electronic environment by generating a synergistic effect between the metal ions and Se2− anions. This work provides an approach for the generation of green hydrogen through water electrolysis coupled with PV.
Photophysical and Chiroptical Properties of Pyrazino‐Phenanthroline‐Helicene Derivative and its Rhenium(I) Complex
Authors: Kundu Debsouri , Jelonek Dominika , Del Rio Natalia , Vanthuyne Nicolas , Srebro‐Hooper Monika , Crassous Jeanne
Published: January 2025

A novel coordination motif comprising [4]helicene fused with pyrazino‐phenanthroline (H4PP) has been synthesized and reacted with ReCl(CO)5 to yield its rhenium(I) complex (Re‐H4PP). Absorption and emission spectroscopic analysis conducted in dichloromethane and 2‐methyltetrahydrofuran reveals that combining pyrazino‐phenanthroline with helicene visibly affects the photophysical attributes of both the resulting ligand and its Re(I) complex as compared to their non‐helicene analogues, and even more importantly leads to relatively high photoluminescence quantum yield values, especially in the case of H4PP (29 %). Chiroptical studies through electronic circular dichroism and circularly polarized luminescence performed on enantiomerically enriched samples of Re‐H4PP show the chiral nature of low‐energy excited states affording notable glum values that amplify at cryogenic temperatures. Insights into experimental results are provided via first‐principles quantum‐chemical calculations showing important role of intra‐ligand charge‐transfer (ILCT) and metal‐to‐ligand CT (MLCT) states in determining photophysical features of these systems.
Influence of Cu2O Precursor Surface Orientation on Catalytic Performance and Product Selectivity in Nitrate Reduction Reactions
Authors: Takashima Toshihiro , Mochida Takumi , Sugamata Kaito , Yamagishi Tetsuya , Irie Hiroshi
Published: January 2025

Oxide‐derived copper (OD−Cu) has attracted considerable attention due to its exceptional electrocatalytic performance toward various reactions, including the reduction of nitrate (NO3−) to ammonia (NH3). Furthermore, numerous techniques have been developed to synthesize copper oxides with well‐defined surface orientations. However, the relationship between the surface orientation of the precursor and the NO3− reduction performance of the resulting OD−Cu catalyst remains unclear. In this study, two types of OD−Cu electrodes, prepared by reducing copper oxide (Cu2O) with exposed (100) and (111) facets grown on Cu substrates, were employed for NO3− reduction. The OD−Cu catalyst derived from Cu2O(111) exhibited a lower overpotential for initiating NO3− reduction and achieved a higher current density compared to the catalyst derived from Cu2O(100). Conversely, the catalyst prepared from Cu2O(100) demonstrated superior Faradaic efficiency for NH3 production. These differences are attributed to variations in the preferential reaction steps of NO3− reduction on each catalyst.
Manganese‐Catalyzed Electrochemical Amination of Activated Alkenes
Authors: Karan Avijit , Ghosh Sumit , Hajra Alakananda
Published: January 2025

We have unveiled a new manganese‐catalyzed electrochemical amination method to transform activated alkenes into a diverse array of vinyl amines harnessing sodium azide as the aminating reagent. The strategy claims notable versatility by accommodating a broad spectrum of substrates, demonstrating good compatibility with diverse functional groups, as well as delivering a moderate to good range of yields. The successful late‐stage functionalization further underscores its practical utility. A radical mechanism is proposed based on experimental mechanistic studies.
A Novel Microfluidic‐Based Fluorescence Detection Method Reveals Heavy Atom Effects on Photophysics of Fluorophores With High Triplet Quantum Yield: A Numerical Simulation Study
Authors: Dirican Selim Can , Demirbay Barış
Published: January 2025

The present study introduces the idea of a novel fluorescence‐based imaging technique combined with a microfluidic platform that enables a precise control of dark transient state populations of fluorescent probes flowing over a uniform, top flat supergaussian excitation field with a constant flow rate. To demonstrate the imaging capability of the proposed detection method, numerical simulations have been performed by considering laser, microscope and flow parameters of experimental setup together with photophysical model and electronic transition rates of fluorescent dyes. As an output data to be assessed, fluorescence image data is simulated numerically for bromine‐free carboxyfluorescein and its brominated derivatives having different numbers of bromine atoms. Based on the magnitudes of applied excitation irradiances and flow rates, which can be manually controlled by user during experiments, the presence of dark state populations can appear as broadening, shifts and decays in normalized fluorescence intensity signals that are computed from simulated fluorescence images. As such changes in signals become more pronounced upon an increase in the degree of bromination, it is elicited that heavy atom effect can be resolved by properly tuning excitation powers of laser and flow rates. Proposed imaging method has potential to provide invaluable means to conventional fluorescence methods and can open up new perspectives in biomedical research.
Novel Nitrogen Hybrid F− Sensors Based on ESIPT Mechanism Achieving Super Low Detection Limits
Authors: Zhu Zeyang , Xu Zixuan , Li Xuemei , Wang Hui , Cao Xinghui , Li Shouzhu , Su Linhan , Wu Shasha
Published: January 2025

Two novel nitrogen hybrid fluorescent sensors based on the ESIPT mechanism were successfully synthesized for the detection of fluoride ions (F−), and they exhibit high sensitivity and selectivity with a fast response. The detection limits even reach the parts per billion level. With the addition of F−, both sensors showed a ratiometric fluorescence change with a large Stokes shift. According to the hydrogen‐1 (1H) NMR titration, it was confirmed that the desilication reaction occurred between the sensors and F−. This work provides guidance for the subsequent development of F− fluorescence sensors.
Essential Oil Variability of Juniperus Oxycedrus s.l. Taxa in Southeast Europe–A Chemophenetic Approach
Authors: Rajčević Nemanja , Dodoš Tanja , Vujisić Ljubodrag , Novaković Jelica , Janaćković Peđa , Marin Petar D.
Published: January 2025

The essential oil (EO) composition of 14 natural populations of two Juniperus oxycedrus s.l. Taxa (J. deltoides and J. macrocarpa) was studied in southeast Europe. These two genetically close taxa have different distributions. EOs were dominated by monoterpene hydrocarbons (33.8–64.1%), although sesquiterpenes and diterpenes were also present in high concentrations in several populations. Limonene, α‐pinene, manoyl oxide, and cedrol were the most abundant compounds, though EO profiles differed between taxa. In almost all samples of J. macrocarpa, α‐pinene was the most abundant compound. Most individuals of J. deltoides had one of the three chemotypes– α‐pinene, limonene and limonene/α‐pinene, though six others were detected in a smaller number of individuals. Multivariate statistics examined variability with population, species, and environmental characteristics. The most common chemotypes of J. deltoides allowed the separation of populations along the climate line/proximity to the Mediterranean Sea, with α‐pinene being more common in continental populations. In addition, multivariate statistical analysis based on leaf EO composition showed a clear separation between J. deltoides and J. macrocarpa populations from southeast Europe. This study emphasizes the importance of large‐scale chemophenetic studies.
A Powerful Organic Photosensitizer for Effective Treatment of Malignant Tumors Via Activating Antitumor Immunity
Authors: Shen Tao , Li Min , Bai Qingqing , Shi Hang , Cui Wudama , Wu Xinghua , Tian Yu , Wu Wenbo , Mao Duo , Yu Hai
Published: January 2025

Photodynamic therapy (PDT) has emerged as an innovative approach in cancer treatment, effectively inducing tumor cell death through light‐triggered reactive oxygen species (ROS) generation. Additionally, PDT can also trigger antitumor immune responses, thereby reducing the risk of postoperative tumor recurrence. However, the development of highly efficient photosensitizers aimed at activating immune responses for comprehensive tumor eradication remains at an early stage. In this study, we developed a new organic photosensitizer, ThC, which exhibits excellent mitochondrial‐targeting effect and significantly enhanced ROS production compared to traditional photosensitizers, such as Chlorin e6 (Ce6). Our findings demonstrate that ThC robustly induces immunogenic cell death (ICD) process in hepatic cancer cells, which could effectively transform immunologically “cold” tumors into “hot” tumors. Through in situ injection and subsequent white light irradiation, ThC achieved superior efficacy in eliminating subcutaneous hepatic tumors. Immunological analyses revealed that ThC treatment led to elevated levels of CD4+ and CD8+ T cells, along with a reduction in immunosuppressive cell populations (Tregs and tumor‐associated macrophages) within the tumor microenvironment. This study provides a novel therapeutic agent with significant potential for clinical translation for the treatment of malignant tumors.
Chronic Offending and Its Relation to Homicide in a Large, Prospective Brazilian Birth Cohort
Authors: Gomes Hugo S. , Piquero Alex R. , Martins Rafaela Costa , Martins‐Silva Thaís , Esposti Michelle Degli , Blumenberg Cauane , Bauer Andreas , Motta Janaína , Horta Bernardo , Murray Joseph
Published: January 2025

Background

Many studies have found that a small group of chronic offenders is responsible for the majority of crimes and tend to be particularly violent. However, there is a major lack of evidence on chronic offending in low‐ and middle‐income countries; understanding these patterns is especially important in settings with very high levels of serious violence, such as Brazil.

Aims

To identify the extent that crime is concentrated in chronic offenders and linked to violence and homicide in a Brazilian cohort.

Methods

The 1982 Pelotas Birth Cohort includes 5623 participants followed from birth in 1982 with complete crime records up to age 30. Chronic offenders were defined as individuals who committed five or more offences and, in aggregate, over 50% of all crimes. Key offending characteristics including age of onset, violent and homicide offending, and incarceration rates were compared across three different offender groups (one‐timers, below‐chronic and chronic offenders).

Results

Approximately 27% of participants had a record for at least one crime by age 30, and 5% were chronic offenders. Chronic offenders were responsible for 57% of all crimes, 54% of violent crimes and 68% of homicides. Chronic offenders exhibited more severe patterns of offending on all characteristics examined compared to non‐chronic offenders. Homicides committed by chronic offenders were more likely to involve firearms than those by non‐chronic offenders.

Discussion

This is the first study to analyse chronic offending within a large prospective cohort in a low‐ and middle‐income country. Chronic offending patterns in this Brazilian setting resemble those in high‐income country studies and are highly related to homicides.
Hysteresis Photomodulation within Photochromic Assemblies of [Dy(Tp2−py)F]+ Single‐Molecule Magnets : Influence of the Supramolecular Magnetic Couplings.
Authors: El Beyrouti Nour , Houard Felix , Valverde‐Muñoz Francisco Javier , Caussin Louis , Hojorat Maher , Cordier Marie , Trzop Elzbieta , Rigaut Stéphane , Le Guennic Boris , Bernot Kévin , Norel Lucie
Published: January 2025

A 1D coordination compound made of a photochromic dithienylethene linker and [Dy(Tp2−py)F]+ units (with Tp2−py=tris(3‐(2‐pyridyl)pyrazolyl)hydroborate) and having tetrakis[3,5‐bis(trifluoromethyl)phenyl]borate counterions is reported. Full photoconversion from the closed isomer to the open isomer of the dithienylethene within single crystals allow for monitoring of the transformation by photocrystallography. Magnetic slow relaxation as well as magnetic hysteresis are observed and can be both modulated upon light irradiation. Comparison with previously published structures with similar components highlights the role of the supramolecular organization, and of dipolar couplings within these compounds, in driving the nature of the observed hysteresis photomodulation.
Investigation of liquid distribution in gas–solid fluidized beds for fluid cokers
Authors: Cochet Yohann , Briens Cedric , Berruti Franco , McMillan Jennifer
Published: January 2025

Thermal cracking processes convert larger molecules into smaller, more valuable products, without a catalyst, allowing for transforming residual oils or waste plastics into useful compounds. Fluid coking, a thermal cracking process utilizing a fluidized bed of hot particles, processes approximately 1 million barrels of residual oil daily. This study aims to understand the formation and breakage of wet agglomerates in fluidized beds, which are known to impact the efficiency of thermal cracking by promoting coke formation and fouling. A model is proposed to predict wet agglomerate formation, drying, and breakage. Experiments in a scaled‐down cold model of the reactor provided data to validate the model. The study investigated the effects of spray nozzle penetration and the addition of a baffle on agglomerate behaviour. Results indicate that increased nozzle penetration reduces wet agglomerate formation, and adding a baffle increases agglomerate drying time and promotes breakage, reducing the amount of liquid reaching the reactor outlet. The combined approach of optimizing nozzle penetration and adding a baffle significantly improves fluid coker operation by minimizing the detrimental impact of wet agglomerates.
Comparative Effectiveness of Calcium‐Channel Blockers, Angiotensin‐Converting Enzyme/Angiotensin Receptor Blockers and Diuretics on Cardiovascular Events Likelihood in Hypertensive African‐American and Non‐Hispanic Caucasians: A Retrospective Study Across HCA Healthcare
Authors: Harrison Anil , Rayamajhi Sushil , Shaker Farhad , Thais Schwartz , Moreno Melissa , Hosseini Kaveh
Published: January 2025

Background

Hypertension, a leading global risk factor for mortality and disability, disproportionately affects racial and ethnic minorities. Our study investigates the association between the type of prior antihypertensive medication use and the likelihood of cardiovascular events (CVE) and assesses whether the patient's race influences this relationship.

Methods

A retrospective study of 14 836 hypertension cases aged ≥ 40 years was conducted using data from HCA Healthcare between 2017 and 2023. Logistic regression was employed to predict the likelihood of CVE and mortality at admission, adjusting for baseline comorbidities, with Race added as an effect modifier. Interaction analysis was performed among races based on antihypertensive medication types.

Results

African American patients on ACE inhibitors (ACE) or angiotensin receptor blockers (ARBs) were 1.7 times more likely to have cardiovascular events (CVE) compared to those on calcium channel blockers (CCBs) and 0.66 times as likely compared to diuretics. CCB users had a lower CVE risk than diuretic users. Among White patients, ACE/ARB users had a 1.18 times higher CVE risk than CCB users and 0.45 times lower compared to diuretics, while CCBs offered a 0.38 times lower risk than diuretics. Only ACE/ARB use showed significantly higher CVE odds for African Americans compared to White patients, with similar risks across racial groups for CCBs and diuretics.

Conclusion

Prior antihypertensive type significantly influenced CVE risk, with race as an effect modifier. CCB users had lower CVE odds than ACE/ARBs or diuretics, and ACE/ARBs showed reduced CVE likelihood compared to diuretics in both racial groups.
Unveiling Gelation and Antimicrobial Potentials of α‐Acyloxy Carboxamides: Findings from Experimental and Theoretical Approach
Authors: Sebastian Sharol , Kumar Manjeet , Hussain Feroze , Rathore Sanju , Rohila Yajat , Meenakshi  , Prakash Shaurya , Kumar Antresh , Bhardwaj Priya , Maruthi Mulaka , Ansari Azaj , Gupta Manoj K.
Published: January 2025

Multicomponent reactions have long been recognized as some of the most versatile tools in organic chemistry, with extensive applications in biomedical science and the pharmaceutical industry. In this study, we explored the potential of the Passerini reaction by designing and synthesizing new low molecular mass gelators that can serve as novel formulations for prolonged anesthesia. These gelators address critical issues like poor solubility, low bioavailability, and short plasma half‐life, all of which hinder therapeutic efficacy. To further understand the gelation mechanism, we performed density functional theory (DFT) calculation for confirming the presence of non‐covalent interactions during gel formation. Additionally, we evaluated the antimicrobial properties of the synthesized compounds, aiming to counter the rise of infectious diseases. These innovative antimicrobial agents could offer solutions to the growing problem of antibiotic resistance, which renders many existing therapies ineffective. Overall, this study aims to develop advanced formulations and antimicrobial agents through the Passerini reaction, providing new strategies for treating infections, minimizing side effects, and combating antibiotic resistance.
Pillar[n]arene‐Based Supramolecular Nanodrug Delivery Systems for Cancer Therapy
Authors: Wei Shubin , Cui Xinyi , Li Tingting , Ma Xin , Liu Luzhi
Published: January 2025

Macrocyclic supramolecular materials play an important role in encapsulating anticancer drugs to improve the anticancer efficiency and reduce the toxicity to normal tissues through host‐guest interactions. Among them, pillar[n]arenes, as an emerging class of supramolecular macrocyclic compounds, have attracted increasing attention in drug delivery and drug‐controlled release due to their high biocompatibility, excellent host‐guest chemistry, and simplicity of modification. In this review, we summarize the research progress of pillar[n]arene‐based supramolecular nanodrug delivery systems (SNDs) in recent years in the field of tumor therapy, including drug‐controlled release, imaging diagnostics and therapeutic modalities. Furthermore, the opportunities and major limitations of pillar[n]arene‐based SNDs for tumor therapy are discussed.
Binding‐Site Switch for Protein Kinase CK2 Inhibitors
Authors: Grenier Dylan , Gelin Muriel , Yang Yinshan , Mularoni Angélique , Guichou Jean‐François , Delcros Jean‐Guy , Krimm Isabelle
Published: January 2025

The serine/threonine protein kinase CK2, a tetramer composed of a regulatory dimer (CK2β2) bound to two catalytic subunits CK2α, is a well‐established therapeutic target for various pathologies, including cancer and viral infections. Several types of CK2 inhibitors have been developed, including inhibitors that bind to the catalytic ATP‐site, bivalent inhibitors that occupy both the CK2α ATP‐site and the αD pocket, and inhibitors that target the CK2α/CK2β interface. Interestingly, the bivalent inhibitor AB668 shares a similar chemical structure with the interface inhibitor CCH507. In this study, we designed analogs of CCH507 using structure‐based and fragment‐based approaches. The ability of these analogs to bind the CK2α/CK2β interface was evaluated using biolayer interferometry and fluorescence anisotropy‐based assays. Their potency to inhibit CK2 kinase activity was determined using the bioluminescent ADP‐Glo assay. These experiments allowed us to investigate which chemical modifications prevent the binding of the compounds at the CK2α/CK2β interface. Seven out of sixteen compounds conserved the ability to bind at the protein‐protein interface, among which three compounds exhibited better interface inhibition compared to CCH507.
β‐Glucuronidase‐Responsive Albumin‐Binding Prodrug of Colchicine‐Site Binders for Selective Cancer Therapy
Authors: Bordes Alexandra , Opalinski Isabelle , Thoreau Fabien , Provot Olivier , Hamze Abdallah , Alami Mouad , Papot Sébastien
Published: January 2025

The development of novel therapeutic strategies enabling the selective destruction of tumors while sparing healthy tissues is of great interest to improve the efficacy of cancer chemotherapy. In this context, we designed a β‐glucuronidase‐responsive albumin‐binding prodrug programmed to release a potent Isocombretastatin A‐4 analog within the tumor microenvironment. When injected at a non‐toxic dose in mice bearing orthotopic triple‐negative mammary tumors, this prodrug produced a significant anticancer activity, therefore offering a valuable alternative to the systemic administration of the parent drug.
Single‐cell landscape of the intrahepatic ecosystem in alcohol‐related liver disease
Authors: Zhao Xiaofang , Wang Senyan , Liu Qi , Wei Wenjuan , Sun Xiaoyan , Song Hao , Xu Jing , Zhang Shuijun , Wang Hongyang , Fu Jing
Published: January 2025

Alcohol‐related liver disease (ALD) is a common chronic liver disease caused by long‐term excessive alcohol consumption and responsible for more than half of all liver‐related deaths worldwide. The molecular mechanisms associated with ALD were not fully understood. In this study, we performed single‐cell RNA sequencing on liver tissues obtained from ALD patients and healthy liver donors. We identified an ALB+KRT7+ epithelial population that expressed both hepatocyte and biliary markers significantly expanded in ALD livers. The ALB+KRT7+ epithelial cells were demonstrated to have stem cell properties and malignant transformation potentials. Moreover, ALB+KRT7+ epithelium‐derived ALD organoids promote the tumour growth by activating Wnt/β‐catenin signalling of liver cancer cells. Most importantly, blocking the Wnt protein secretion or knockdown the Wnt receptor suppressed the tumour promoting effect of ALD organoids. Our study provides important insights that Wnt signalling can be targeted in patients with advanced alcohol‐related cirrhosis to prevent malignant transformation. In addition, our results also uncovered the important alterations of nonparenchymal cells, especially macrophages and T/NK populations that responsible for active inflammation responses in alcohol‐related hepatitis and immunosuppressive microenvironment in advanced cirrhosis livers, which likely facilitated the malignant progression of ALD.

Key points

This study provides single‐cell landscape of human liver samples across different ALD stages.

The ALB+ KRT7+ epithelium were enriched in ALD patients, and the function of this epithelial population varied significantly across ALD stages.

ALB+KRT7+ epithelium from advanced alcohol‐related cirrhosis had malignant transformation potential and tumour promotion activity.

The comprehensive changes of parenchymal and nonparenchymal cells in the ALD livers lay a hidden danger for the further malignant progression.
Functional leaf and plant use by leafcutter bees: Implications for management and conservation
Authors: Sinu Palatty Allesh , Abhiram Krishnan P. , Baby Ashly , Akshatha C. R. , Aneha K. , Unni Anjana P. , Nalamati Harita , Manoj K. , Pooja A. R.
Published: January 2025

Wild solitary bees face a host of challenges from the simplification of landscapes and biodiversity loss to invasive species and urbanization. Pollinator researchers and restoration workers thus far gave much attention to increase flower cover to reduce the impact of these anthropogenic pressures. Over 30% of bee species need nonfloral resources such as leaves and resin for their survival and reproduction. However, the importance of leaves in bee ecology, particularly for leafcutter bees, has received very little attention. Leafcutter bees have global distribution and cut leaves for constructing brood chambers. We have very little information for (a) what bees use and do not use for foraging leaves and (b) what leaf and plant traits and plant community traits drive plant preference and plant usage. To fill this gap and recommend plants for leafcutter bee conservation, we examined 13,062 plants of 612 species and 107 families distributed in 165 plant communities of nine towns/cities of four south Indian states. The plant community of nine locations and four states was quite dissimilar, but had similar proportion of native and exotic plants. The probability of a plant foraged for leaf is governed by its clade, family, nativity, and leaf dimension, particularly the leaf width. Bees have a clear preference for plants of common families, such as Fabaceae, Phyllanthaceae, and Meliaceae for foraging leaves, but bees going to plants of distant lineages, including rare species and families is not rare. At the same time, bees also avoided plants of several cosmopolitan families, such as Apocynaceae, Moraceae, Sapotaceae, and Asteraceae, among others. Bees preferred exotic plants more to native plants. The plant usage in communities is predicted by species richness, proportion of Fabaceae plants in communities, and proportion of herbs; plant diversity and abundance are not crucial drivers. Our study suggests that the bees' preference for leaf‐foraging plants is not random, but governed by leaf, plant, and plant community traits. The preference for exotic plants is helpful for planning urban and homestead greening projects as they are dominated by exotics.
Clinical Experiences Using Family Based Treatment for Eating Disorders
Authors: Gioia Ayla N. , Morales Cate , Laboe Agatha A. , Dolan Sarah C. , Reilly Erin E.
Published: January 2025

Objective

Despite the availability of several evidence‐based treatments for eating disorders (EDs), including Family‐Based Treatment (FBT), therapist drift from evidence‐based treatments in real‐life clinical settings is common. This study explores clinicians' use of FBT techniques and identifies clinician‐reported barriers to their use in real‐world settings.

Methods

Clinicians (N = 54) who self‐identified as using FBT for EDs were recruited through social media, professional listservs, and mental health provider databases. Participants completed an online survey comprised of questions developed alongside ED researchers (n = 5). Questions included quantitative self‐rating of frequency of FBT technique use and usefulness, limitations of the treatment, and barriers to effective implementation of FBT.

Results

Descriptive statistics indicated frequent use of most FBT techniques (i.e., Ms > 75 on scales ranging from 0 [never use] to 100 [always use]). On a scale from 0 (not at all a barrier) to 100 (a major barrier), ratings of FBT barriers ranged from 25.07 (i.e., caregiver motivation decreases when learning reasons for ED) to 80.70 (i.e., low time resources). Regarding limitations of FBT, between 37% and 42.6% of participants indicated challenges in establishing an alliance with youth and validating their experiences as barriers to treatment success.

Discussion

Overall, clinicians reported frequent use of FBT techniques. Barriers that received higher mean ratings included items related to emotional processes experienced by caregivers, caregiver/patient beliefs related to weight stigma/diet culture, resource and time‐related constraints, and challenges with caregiver buy‐in/beliefs about treatment. Future research should explore ways to adapt FBT to address these barriers within naturalistic settings.
The year of a leaf: Tracking the fate of leaf litter and its nutrients during aquatic decomposition and consumption
Authors: Cereghetti Eva , Bossart Raphaël , Bruder Andreas , Krähenbühl Andrin , Wolf Franziska , Altermatt Florian
Published: January 2025

Temperate streams are subsidized by inputs of leaf litter peaking in fall. Yet, stream communities decompose dead leaves and integrate their energy into the aquatic food web throughout the whole year. Most studies investigating stream decomposition largely overlook long‐term trajectories, which must be understood for an appropriate temporal upscaling of ecosystem processes. Using mesocosms, we quantified changes in carbon, nitrogen, and phosphorus content of three leaf species during decomposition at weekly to multi‐month intervals for up to a year; then, we tested how decomposition duration affected the subsequent consumption by a keystone amphipod macroinvertebrate. Over a year, nitrogen and phosphorus percentage increased across all leaf species, but only the recalcitrant species maintained initial levels of absolute nitrogen and phosphorus. Prolonged decomposition barely affected or impaired amphipod consumption of labile leaf species, whereas it enhanced feeding on the recalcitrant species. Overall, we demonstrate that recalcitrant leaves might serve as longer stored potential resources for when labile species have already been consumed and that their increasing palatability observed over multi‐month intervals of sustained decomposition may stabilize fluctuations in the rates of leaf litter integration into aquatic food webs. This yearlong perspective highlights the relevancy of slow‐decomposing leaves for aquatic detrital communities.
Alcohol consumption and incident heart failure in men and women
Authors: Qin Hailun , van Essen Bart J. , ter Maaten Jozine M. , Voors Adriaan A.
Published: January 2025

Aims

Regular heavy alcohol consumption may lead to the development of alcohol‐related cardiomyopathy and symptomatic heart failure (HF) later in life. However, the dose–response relationship between alcohol consumption and risk for incident HF, and whether these associations vary by sex and type of alcoholic beverage remains unclear.

Methods and results

A total of 407 014 participants (52% women, age 56 years) from the UK Biobank who completed alcohol‐related questionnaires and without a history of HF at baseline were included in the study. Competing‐risk model and cubic spline regression analyses were used to calculate hazard ratios of the association between alcohol consumption and incident HF in men and women. The associations were adjusted for an extensive set of potential confounders. During a median follow‐up of 12 years, 11 735 (34% women) cases of incident HF were identified. Total alcohol consumption was higher in men than in women (median consumption: 16 vs. 8 drinks/week, p < 0.001). A J‐shaped association was observed between total alcohol consumption and incident HF in both men and women. Drinking alcohol <28 units/week was associated with a lower risk for developing HF, with a ~20% maximum risk reduction at 14 units/week in men and 7 units/week in women, independent of common confounders. Similar trends were observed in wine consumption. However, the risk of incident HF increases with beer consumption, particularly in women (p for sex interaction = 0.002). Consuming 7–14 units/week of beer was associated with a 29% increased risk of incident HF in women.

Conclusion

Alcohol consumption was higher among men compared with women. Although low to moderate total alcohol consumption appears to be associated with a reduced risk of developed HF, beer drinkers, particularly women, were at higher risk of developed HF.
Boosting H2O2 Activation for the Efficient Alkene Epoxidation over Polyoxometalate‐based Tetrakaidecahedron‐like Nanodice Assemblies
Authors: Zhao Yali , Wang Ziru , Zhai Jinxiu , Cao Xingjian , He Peilei
Published: January 2025

The activation of hydrogen peroxide (H2O2) as a terminal oxidant holds great promise for catalytic oxidation processes. However, developing an efficient catalyst for the epoxidation of bulky organic molecules with H2O2, including cyclic alkenes, remains challenging. In this research, a lacunary polyoxometalate (POM)‐based tetrakaidecahedron nanodices (NDs) are synthesized by [PW11O39]7− (PW11) clusters with tetrabutylammonium bromide (TBAB). The NDs exhibit significantly enhanced catalytic activity in the epoxidation of cyclooctene, with a yield 55.4 times greater than that of the raw PW11. Conversely, nanospheres (NSs) assembled from non‐lacunary POM clusters of [PW12O40]3− (PW12) under the same conditions achieve only a 2.9 % yield, highlighting the essential role of the lacunary PW11 structure in NDs. Raman spectroscopy and density functional theory (DFT) calculations confirm that the active hydroperoxo species from H2O2 activation serves as the effective epoxidizing agent. The reduced energy barrier for H2O2 activation on PW11, relative to PW12, corroborates the superior activity of the NDs. Furthermore, the intermediate generated post‐H2O2 activation shows stronger adsorption of cyclooctene, increasing oxygen transfer to cyclooctene during the epoxidation process. This study demonstrates the exceptional performance of an assembly structure utilizing lacunary POMs for the activation of H2O2 and subsequent oxidation reactions.
Why adult learners attend college
Authors: May Rachel
Published: January 2025

Adult learners have more higher education options than ever — from degree to non‐degree‐bearing programs. Understanding whether adult learners still desire a four‐year degree — and if so, why — the authors of a new white paper assert, is “especially important at a time of great enthusiasm about novel alternatives to college diplomas.”
High‐Fidelity High‐Resolution Regional Seismic Risk and Resilience Assessment of Large Building Inventories
Authors: Dahal Laxman , Burton Henry , Zhong Kuanshi
Published: January 2025

Historically, building design codes have been governed by the life‐safety performance standard with minimal emphasis on other metrics such as economic loss and downtime. However, recent advancements in earthquake engineering have put in motion a national‐level initiative to explicitly codify functional recovery as a target performance objective. While the importance of this effort has been broadly acknowledged by engineers and policymakers, there is a need to develop efficient computational strategies for evaluating the performance and cost‐benefit implications of these resilience‐based standards at the regional scale. It is with this vision in mind that this paper makes two primary contributions. First, an efficient computational framework for performing high‐fidelity high‐resolution seismic risk and resilience assessments of large building inventories is proposed. The framework harnesses automation, optimization, and distributed computing to render high fidelity and resolution‐based seismic risk assessments computationally feasible. Second, a new approach to performing stochastic event set‐based evaluation of building portfolios is proposed, which utilizes building‐specific performance‐based assessments that include site‐specific ground motion selection. A case study is presented on a risk‐based seismic loss and functional recovery evaluation of more than 15,000 residential woodframe buildings in the City of Los Angeles. By leveraging automation, optimization, and high‐performance computing, we are able to reduce the runtime for such an assessment from months to days.
Fire Hazard of Fiber Dust Layers With Different Widths and Inclination Angles Exposed to Simulated Hotspots
Authors: Zhang Jinglin , Du Zhenguo , Yuan Qi , Li Chang , Ding Shixun , Li Gang , Yuan Chunmiao
Published: January 2025

Fiber dust's flocculent structure often leads to underestimation of its potential for fire and explosion. In order to compare the fire hazards of fiber dust layers with different widths and inclination angles exposed to simulated hotspots with traditional powdered dust layers. The current research systematically studied the flame spread characteristics of flax, paper scraps, and wood dust with widths of 20, 30, 40, 50, and 60 mm at inclination angles of 0°, −10°, −20°, −30° and −40°. Studies have found that at different widths and inclination angles, flax dust has a higher flame spread velocity than wood powder, and even metal powder. Under the coupling effect of the width and inclination angle of the countercurrent flame, the inclination angle has a significant impact on the flame spread velocity of the countercurrent flame. Flax fiber dust has a significantly higher fire hazard than conventional dust. These findings should be taken into account in the industrial processes of handling flax fiber dust.
USD Interest Rate Swaption Strategies During the Unconventional Monetary Policy and Pandemic Eras
Authors: Shirokawa Hiroaki , Yamaguchi Kohei , Obata Takahiro , Sakemoto Ryuta
Published: January 2025

This study investigates the performance of USD interest rate swaption straddle strategies during the unconventional monetary policy and pandemic eras. We construct long–short portfolio swaption straddles using longer tenors and maturities than those in the previous literature. Moreover, we propose an equally weighted strategy that takes risk exposures to both volatility and jump risks. This strategy generates a higher Sharpe ratio than the delta–gamma neutral strategy during the unconventional monetary policy period. This result is weakly associated with spot swap forward rate jumps and robust, including transaction costs. We also observe that adopting longer maturity swaptions in the long position leads to higher values of risk and returns.
Commodity Dependence and Optimal Asset Allocation
Authors: Dequiedt Vianney , Gomes Mathieu , Pukthuanthong Kuntara , Williams‐Rambaud Benjamin
Published: January 2025

We present a model to explain the diversification benefits of incorporating commodities into a portfolio of traditional assets from the perspective of domestic investors. Utilizing a sample of 38 countries from 2000 to 2020, we show that investors in high‐commodity dependence countries generally do not benefit from adding commodities to their portfolios while investors located in low‐commodity dependence countries usually do. Our results thus show that local contexts matter and that commodities may augment a diversified portfolio if investors are not excessively exposed to commodity risk through their country's economic structure.
Exploring the Impact of Declarative Learning on the Consolidation of Acquired Motor Skills Under Valence Feedback
Authors: Farrokhi Ashkan , Habibi Mina , Daliri Mohammad Reza
Published: January 2025

Implicit motor learning involves the acquisition and consolidation of motor skills without conscious awareness, influenced by various factors. Punishment and reward have been identified as significant modulators during training, impacting skill acquisition differently. Additionally, the role of a second declarative task in offline consolidation has been explored, affecting both stabilization and enhancement processes during wake and sleep periods. However, how valanced feedback and learning a secondary declarative task can influence the learning and consolidation of implicit motor learning has not been explored. This study investigates whether receiving monetary feedback during motor sequence learning influences consolidation when declarative knowledge about the task is disrupted by a second word‐list task. Participants' skill levels were assessed during training, immediately after training, 15 min post‐training (after performing the second task), and 24 h later after night sleep. Concurrently, brain synchrony was measured using electroencephalography (EEG) recording. Results indicate that monetary punishment leads to early enhancement and higher performance after the second task compared to reward and control groups. However, after 24 h, no significant enhancement was observed in any group, with differences between groups diminishing. EEG analysis revealed distinct brain subnetworks across alpha, beta, and unexpectedly delta network which traditionally associated with sleep‐dependent consolidation. These findings shed light on the complex interplay between valanced feedback learning, declarative memory disruption, and offline consolidation in implicit motor learning, highlighting the dynamic nature of skill acquisition and retention, offering potential implications for targeted interventions and future research directions.