bluuebunny/crossref_metadata_2025_split huggingface dataset:
What Makes Inhibitors of BET Proteins Bromodomain Selective? A Case Study with a Lead Candidate for Male Contraceptives
Authors: Pietra Francesco 
Published: May 2024

AbstractBET proteins are epigenetic readers made of two bromodomains that regulate gene transcription by interacting with histones. Diseases that may ensue can be fight by inhibiting BET proteins, but the different role and close similarity of the two bromodomains make it difficult devising selective inhibitors. None has been approved as yet. The challenge of bromodomain selectivity has been taken here by going farther than ranking the importance of inhibitor‐protein contacts from distances in the crystal. Assessing inhibitor selectivity was based here, for the first time with BET proteins, on the energy involved in contacts between the inhibitor and amino acids, dissected from computer simulations under physiological‐like conditions. Because of the high relevance of hydrogen bonds, which are not adequately treated by Newtonian molecular dynamics, the strict environment of the inhibitor was treated by first principles, entrusting all other to a classical treatment, in what are termed QM‐MM simulations. In a case study with a lead candidate as male contraceptive it emerged that BD1 selectivity improves markedly by turning from the commonly dominant interaction with ASN to a different BD1‐specific stronger foothold.
Prenatal maternal stress, sleep quality, and neonatal birth weight: A prospective cohort study
Authors: Gui Yuyan , Wei Qian , Shi Yuyang , Zhang Yunhui , Shi Huijing , Xiao Xirong 
Published: May 2024

AbstractTo assess if the impacts of prenatal maternal stress (PNMS) on neonatal physical development including birth weight and body length vary by trimesters, and to explore the mediating effect of sleep quality in the relationships. A total of 2778 pregnant women were included from the Shanghai Maternal‐Child Pairs Cohort. PNMS and sleep quality were measured in the first trimester (12–16 gestational weeks) and third trimester (32–36 gestational weeks) using the Life Event Scale for Pregnant Women (LESPW) and Pittsburgh Sleep Quality Index, respectively. And total LESPW scores were classified into three groups: high stress (≥75th percentile), medium stress (≥25th and <75th percentile), and low stress (<25th percentile). Multiple linear and logistic regressions were employed to examine the associations between PNMS and birth weight, and bootstrap were utilized to explore the mediating effects of maternal sleep. Higher (adjusted odds ratio, aOR = 1.521; 95% confidence interval (CI), 1.104–2.096) and medium (aOR = 1.421; 95% CI, 1.071–1.885) PNMS and stress from subjective events (aOR = 1.334; 95% CI, 1.076–1.654) in the first trimester were significantly associated with elevated risk for large for gestational age. Maternal severe negative objective events stress (OE3) in the third trimester were negatively associated with birth weight (β = −0.667; 95% CI, −1.047∼−0.287), and maternal sleep latency during this period acted as a mediator in the association (indirect effect: β = −0.0144; 95% CI, −0.0427∼−0.0003). Besides, a significant negative correlation between total LESPW score (β = −0.022; 95% CI, −0.038∼−0.006; per 100 score) and body length in the third trimester was also observed. The impact of PNMS on neonatal birth weight varies by stress types and exposure timing. Prolonged maternal sleep latency in the third trimester correlated with lower birth weight, and mediating the link of OE3 and birth weight, which might indicate a critical period of vulnerability to the effects of PNMS on neonatal physical development.
Engineering Tough Supramolecular Hydrogels with Structured Micropillars for Tunable Wetting and Adhesion Properties
Authors: Tian Ye , Hou Li Xin , Zhang Xin Ning , Du Miao , Zheng Qiang , Wu Zi Liang 
Published: May 2024

AbstractSoft‐lithography is widely used to fabricate microstructured surfaces on plastics and elastomers for designable physical properties such as wetting and adhesions. However, it remains a big challenge to construct high‐aspect‐ratio microstructures on the surface of hydrogels due to the difficulty in demolding from the gel with low strength and stiffness. Demonstrated here is the engineering of tough hydrogels by soft‐lithography to form well‐defined micropillars. The mechanical properties of poly(acrylamide‐co‐methacrylic acid) hydrogels with dense hydrogen‐bond associations severely depend on temperature, with Young's modulus increasing from 8.1 MPa at 15 °C to 821.8 MPa at −30 °C, enabling easy demolding at low temperatures. Arrays of micropillars are maintained on the surface of the gel, and can be used at room temperature when the gel restores soft and stretchable. The hydrogel also exhibits good shape‐memory property, favoring tailoring the morphology with a switchable tilt angle of micropillars. Consequently, the hydrogel shows tunable wetting and adhesion properties, as manifested by varying contact angles and adhesion strengths. These surface properties can also be tuned by geometry and arrangement of micropillars. This facile strategy by harnessing tunable viscoelasticity of supramolecular hydrogels should be applicable to other soft materials, and broaden their applications in biomedical and engineering fields.
Thermally Enhanced Phosphorescent Carbon Nanodots for Monitoring Cold‐Chain Logistics
Authors: Liang Ya‐Chuan , Shao Hao‐Chun , Liu Kai‐Kai , Cao Qing , Jiang Li‐Ying , Shan Chong‐Xin , Kuang Le‐Man , Jing Hui 
Published: May 2024

AbstractRoom‐temperature phosphorescent materials, renowned for their long luminescence lifetimes, have garnered significant attention in the field of optical materials. However, the challenges posed by thermally induced quenching have significantly hindered the advancement of luminescence efficiency and stability. In this study, thermally enhanced phosphorescent carbon nanodots (CND) are developed by incorporating them into fiber matrices. Remarkably, the phosphorescence lifetime of the thermally enhanced CND exhibits a twofold enhancement, increasing from 326 to 753 ms, while the phosphorescence intensity experienced a tenfold enhancement, increasing from 25 to 245 as the temperature increased to 373 K. Rigid fiber matrices can effectively suppress the non‐radiative transition rate of triplet excitons, while high temperatures can desorb oxygen adsorbed on the surface of the CND, disrupting the interaction between the CND and oxygen. Consequently, a thermally enhanced phosphorescence is obtained. In addition, benefiting from the thermally enhanced phosphorescence property of CND, a warning indicator with an anti‐counterfeiting function for monitoring cold‐chain logistics is demonstrated based on CND.
Systematic Constructing FeOCl/BiVO4 Hetero‐Interfacial Hybrid Photoanodes for Efficient Photoelectrochemical Water Splitting
Authors: Chen Yuxuan , Li Xiaolin , Yang Hao , Huang Yongchao 
Published: May 2024

AbstractBismuth vanadate (BiVO4), as a promising photoanode for photoelectrochemical (PEC) water splitting, suffers from poor charge separation efficiency and light absorption efficiency. Herein, iron oxychloride (FeOCl) is introduced as a novel cocatalyst simply grafted on BiVO4 to construct an integrated photoanode, enhancing PEC performance. The optimized FeOCl/BiVO4 photoanode exhibits a superior photocurrent density value of 5.23 mA cm−2 at 1.23 V versus reversible hydrogen electrode (RHE) under AM 1.5G illuminations. From experimental analysis, such high PEC performance is ascribed to the unique properties of FeOCl, facilitating charge transport, increasing light absorption efficiency, and promoting water oxidation kinetics. Density functional theory calculations further confirm that FeOCl optimizes the Gibbs free energy of H and O‐containing intermediates (OOH*) during PEC processes, boosting the catalytic kinetics of PEC water splitting. This work presents FeOCl as a promising catalyst for constructing high efficient PEC water‐splitting photoanodes.
Cost optimization of tall buildings having tube composite columns using social spider algorithm
Authors: Paksoy Ahmed , Aydogdu Ibrahim , Akin Alper 
Published: May 2024

SummaryThis study aims to develop an algorithmic approach to obtain optimum designs for tall buildings having composite columns and investigate the material cost advantages of these buildings over steel structures. The social spider optimization (SSO) algorithm, a new meta‐heuristic optimization method that has shown promising results in optimizing frame structures, was used to obtain the optimum designs. Concrete‐filled steel tube sections were chosen for composite columns. To define the optimization problem, we considered the material cost of the structure as the objective function, the size of columns (strength, deflection, drift, and geometric limitations) as the constraint functions, and ready steel sections as the design variables. We tested eight different frame structures of varying heights and irregularities to analyze how cost varied according to these parameters. Our results demonstrate that composite columns are a more cost‐effective option than steel structures, even for buildings that are not considered high rises. We found that the difference in cost between the two types of structures increases with building height and irregularity. Additionally, our optimization algorithm was unable to find feasible designs for steel structures taller than 180 m using ready steel profiles.
Environmentally relevant levels of Cd and Mo coexposure induces ferroptosis and excess ferritinophagy through AMPK/mTOR axis in duck myocardium
Authors: Huang Bingyan , Nie Gaohui , Dai Xueyan , Cui Ting , Pu Wenjing , Zhang Caiying 
Published: May 2024

AbstractCadmium (Cd) and excess molybdenum (Mo) are multiorgan toxic, but the detrimental impacts of Cd and/or Mo on poultry have not been fully clarified. Thence, a 16‐week sub‐chronic toxic experiment was executed with ducks to assess the toxicity of Cd and/or Mo. Our data substantiated that Cd and Mo coexposure evidently reduced GSH‐Px, GSH, T‐SOD, and CAT activities and elevated H2O2 and MDA concentrations in myocardium. What is more, the study suggested that Cd and Mo united exposure synergistically elevated Fe2+ content in myocardium and activated AMPK/mTOR axis, then induced ferroptosis by obviously upregulating ACSL4, PTGS2, and TFRC expression levels and downregulating SLC7A11, GPX4, FPN1, FTL1, and FTH1 expression levels. Additionally, Cd and Mo coexposure further caused excessive ferritinophagy by observably increasing autophagosomes, the colocalization of endogenous FTH1 and LC3, ATG5, ATG7, LC3II/LC3I, NCOA4, and FTH1 expression levels. In brief, this study for the first time substantiated that Cd and Mo united exposure synergistically induced ferroptosis and excess ferritinophagy by AMPK/mTOR axis, finally augmenting myocardium injure in ducks, which will offer an additional view on united toxicity between two heavy metals on poultry.
Deoxyshikonin triggers apoptosis in cervical cancer cells through p38 MAPK‐mediated caspase activation
Authors: Lee Chung‐Yuan , Chen Pei‐Ni , Kao Shao‐Hsuan , Wu Heng‐Hsiung , Hsiao Yi‐Hsuan , Huang Tzu‐Yu , Wang Po‐Hui , Yang Shun‐Fa 
Published: May 2024

AbstractDeoxyshikonin (DSK) is a biological component derived from Lithospermum erythrorhizon. Although DSK possesses potential anticancer activities, whether DSK exerts anticancer effects on cervical cancer cells is incompletely explored. This study was aimed to investigate the anticancer activity of DSK against cervical cancer cells and its molecular mechanisms. Cell viability was evaluated by MTT assay. Level of phosphorylation and protein was determined using Western blot. Involvement of signaling kinases was assessed by specific inhibitors. Our results revealed that DSK reduced viability of human cervical cell in a dose‐dependent fashion. Meanwhile, DSK significantly elicited apoptosis of HeLa and SiHa cells. Apoptosis microarray was used to elucidate the involved pathways, and the results showed that DSK dose‐dependently diminished cellular inhibitor of apoptosis protein 1 (cIAP1), cIAP2, and XIAP, and induced cleavage of poly(ADP‐ribose) polymerase (PARP) and caspase‐8/9/3. Furthermore, we observed that DSK significantly triggered activation of ERK, JNK, and p38 MAPK (p38), and only inhibition of p38 diminished the DSK‐mediated pro‐caspases cleavage. Taken together, our results demonstrate that DSK has anti‐cervical cancer effects via the apoptotic cascade elicited by downregulation of IAPs and p38‐mediated caspase activation. This suggests that DSK could act as an adjuvant to facilitate cervical cancer management.
Minimal seesaw and leptogenesis with the smallest modular finite group
Authors: Marciano Simone , Meloni Davide , Parriciatu Matteo 
Published: May 2024

Abstract
We propose a model for leptons based on the smallest modular finite group Γ2 ≅ S3 that, for the first time, accounts for both the hints of large low-energy CP-violation in the lepton sector and the matter-antimatter asymmetry of the Universe, generated by only two heavy right-handed neutrinos. These same states are also employed in a Minimal seesaw mechanism to generate light neutrino masses. Besides the heavy neutrinos, our particle content is the same as the Standard Model (SM), with the addition of one single modulus τ, whose vacuum expectation value is responsible for both the modular and CP-symmetry breakings. We show that this minimalistic SM extension is enough to get an excellent fit to low energy neutrino observables and to the required baryon asymmetry ηB. Predictions for the neutrino mass ordering, effective masses in neutrinoless double beta decay and tritium decay as well as for the Majorana phases are also provided.
The dynamics of three-forms in thick branes
Authors: Gordin Jake E. B. , MacDevette Kelly , Bruton Jenna 
Published: May 2024

Abstract
In this work, we investigate thick brane models with a single three-form field. We find novel solutions for thick braneworlds where only three-forms exist and interact gravitationally in the bulk, both with and without matter fields. We use an additional scalar field as proxy for the matter fields. As an initial study, we consider the results here in contrast to the single scalar field thick braneworld case. The properties of the specific three-form parameterisation limits the freedom we have to choose the form of the warp factor, leading to a closed system of equations with nontrivial yet unstable solutions. The stability of the gravitational sector for thick brane three-forms is investigated and the models are shown to be unstable against small perturbations of the metric, further indicating that three-forms cannot exist stably in thick braneworld settings.
On Second-Order Derivatives of Boolean Functions and Cubic APN Permutations in Even Dimension
Authors: Musukwa Augustine , Sala Massimiliano , Villa Irene , Zaninelli Marco 
Published: May 2024

AbstractThe big APN problem is one of the most important challenges in the theory of Boolean functions, i.e. finding a new APN permutation in even dimension. Among this class of functions, those with the lowest possible degree are cubic. Yet, none has been found so far. In this paper, we introduce new parameters for Boolean functions and for vectorial Boolean functions, mostly derived from the behavior of their second-order derivatives. These parameters are invariant under extended affine equivalence, and they are particularly relevant for small-degree functions. They allow studying bent, semi-bent and APN functions of degrees two and three. In particular, they allow tackling the big APN problem for cubic permutations. Notably, we focus on the case of dimension 8, providing some computational results.
Probabilistic Stirling numbers and applications
Authors: Adell José A. , Bényi Beáta 
Published: May 2024

AbstractWe introduce probabilistic Stirling numbers of the first kind $$s_Y(n,k)$$

s
Y

(
n
,
k
)

associated with a complex-valued random variable Y satisfying appropriate integrability conditions, thus completing the notion of probabilistic Stirling numbers of the second kind $$S_Y(n,k)$$

S
Y

(
n
,
k
)

previously considered by the first author. Combinatorial interpretations, recursion formulas, and connections between $$s_Y(n,k)$$

s
Y

(
n
,
k
)

and $$S_Y(n,k)$$

S
Y

(
n
,
k
)

are given. We show that such numbers describe a large subset of potential polynomials, on the one hand, and the moments of sums of i. i. d. random variables, on the other, establishing their precise asymptotic behavior without appealing to the central limit theorem. We explicitly compute these numbers when Y has a certain familiar distribution, providing at the same time their combinatorial meaning.
The IMPDH cytoophidium couples metabolism and fetal development in mice
Authors: Peng Min , Keppeke Gerson D. , Tsai Li-Kuang , Chang Chia-Chun , Liu Ji-Long , Sung Li-Ying 
Published: May 2024

AbstractThe cytoophidium is an evolutionarily conserved subcellular structure formed by filamentous polymers of metabolic enzymes. In vertebrates, inosine monophosphate dehydrogenase (IMPDH), which catalyses the rate-limiting step in guanosine triphosphate (GTP) biosynthesis, is one of the best-known cytoophidium-forming enzymes. Formation of the cytoophidium has been proposed to alleviate the inhibition of IMPDH, thereby facilitating GTP production to support the rapid proliferation of certain cell types such as lymphocytes, cancer cells and pluripotent stem cells (PSCs). However, past studies lacked appropriate models to elucidate the significance of IMPDH cytoophidium under normal physiological conditions. In this study, we demonstrate that the presence of IMPDH cytoophidium in mouse PSCs correlates with their metabolic status rather than pluripotency. By introducing IMPDH2 Y12C point mutation through genome editing, we established mouse embryonic stem cell (ESC) lines incapable of forming IMPDH polymers and the cytoophidium. Our data indicate an important role of IMPDH cytoophidium in sustaining a positive feedback loop that couples nucleotide biosynthesis with upstream metabolic pathways. Additionally, we find that IMPDH2 Y12C mutation leads to decreased cell proliferation and increased DNA damage in teratomas, as well as impaired embryo development following blastocoel injection. Further analysis shows that IMPDH cytoophidium assembly in mouse embryonic development begins after implantation and gradually increases throughout fetal development. These findings provide insights into the regulation of IMPDH polymerisation in embryogenesis and its significance in coordinating cell metabolism and development.
High mountains of central Europe as a refuge of surprising cytotype diversity of Huperzia selago (Lycopodiaceae)
Authors: Vejvodová Kateřina , Krejčí Joel , Koutecký Petr , Lučanová Magdalena , Hornych Ondřej , Ekrt Libor 
Published: May 2024

AbstractPolyploidization is pivotal in plant speciation, affecting adaptability, ecological tolerance and specific geographical distribution patterns. While cytotype diversity has been extensively studied in angiosperms and ferns, knowledge in homosporous lycophytes remains very limited. Our study addresses this gap, focusing on the homosporous lycophyte Huperzia selago in Central Europe. The genome size of 1330 individuals from 208 populations were assessed via flow cytometry, revealing five distinct cytotypes (2x, 3x, 4x, 5x, 6x). Challenging chromosome counting using gemmae roots yielded average counts of 140 (2x), 204 (3x), and 262 (4x) chromosomes. The hexaploid genome size (29 pg) approached the upper limits reported for lycophytes. Tetraploids were the most abundant (72.7%), while triploids (21.3%) were less common, while the remaining cytotypes comprised less than 5% of the dataset. Geographical separation of cytotypes was not observed. However, uncommon cytotypes were associated with the Alps and triploids also occured in the highest parts of Western Carpathians. Around 27.3% of populations exhibited multiple cytotypes. Except for atypical diploids, spore abortion differed between even (21.8%) and odd ploidies (65.2%). Microcharacter (stoma, spore) proportions did not linearly correspond with increasing ploidy levels. The high ploidy-level diversity and cytotype coexistence in Central European H. selago match the well documented patterns in ferns and angiosperms. These findings provide valuable insights into lycophyte polyploidy, underscoring the necessity for broader geographical sampling and application of molecular studies to elucidate phylogenetic relationships and taxonomic classifications within the genus Huperzia.
Plasmazytoides Urothelkarzinom: eine seltene Ursache des lokalisierten Lymphödems
Authors: Burmann Sven-Niklas , Michalowitz Alena-Lioba , Oellig Frank , Kreuter Alexander , Matull Johanna 
Published: May 2024

ZusammenfassungLokalisierte Lymphödeme der Genitalregion sind insgesamt seltene Erkrankungen. Liegt ihnen eine angeborene Fehlentwicklung des Lymphgefäßsystems zugrunde, werden sie als primäre Lymphödeme bezeichnet. Sekundäre Lymphödeme entstehen durch exogene Schädigung von Lymphgefäßen infolge von z. B. operativen Eingriffen, Übergewicht, Filariasis, Radiotherapie oder tumorösen Prozessen. Wir präsentieren den Fall eines Patienten mit lokalisiertem Lymphödem der Genitalregion, für das sich ein bisher nicht diagnostiziertes Urothelkarzinom als ursächlich erwies.
Adverse childhood experiences and risk of late-life dementia: a systematic review and meta-analysis
Authors: Abouelmagd Moaz Elsayed , AbdelMeseh Maickel , Elrosasy Amr , Eldeeb Hatem Abdelmoneim , Nabil Yehia 
Published: May 2024

Abstract
Background
Adverse childhood experiences (ACEs) refer to distressing events before age 18 that can lead to potential mental and physical health consequences. This systematic review and meta-analysis aimed to examine the association between ACEs and the risk of dementia in elderly adults who experienced ACEs during childhood, addressing the existing inconsistencies and methodological variations.

Methods
A comprehensive search strategy was employed across key databases (PubMed, Web of Science, Scopus, and Embase) to identify relevant articles. Our primary outcome was ACEs-dementia risk, and our secondary outcome was mild cognitive impairment risk. A quality assessment was conducted using the Newcastle–Ottawa Quality Assessment Scale and GRADE. A random-effects model was utilized to calculate pooled odds ratios (ORs) and 95% confidence intervals (CIs). Subgroup analyses were performed to explore potential sources of heterogeneity and assess the reliability of the results.

Results
Out of 1,376 screened papers, nine studies were included. The studies consisted of two case-control, one prospective cohort, and six retrospective cohort studies conducted in the UK, France, USA, China, and Spain. Five studies were of good methodological quality according to the NOS. according to the GRADE, all outcomes were classified as very low or low quality of evidence. A significant association was observed between ACEs and dementia risk (OR = 1.35; 95% CI 1.20, 1.52; P = 0.00001) and mild cognitive impairment risk (OR = 1.28; 95% CI 0.63, 2.62; P = 0.49). A meta-analysis by type of adversity revealed significant results for the maltreatment subgroup(OR = 1.30; 95% CI 0.07-1.58; P = 0.007; I² = 0%). Subgroup analysis based on the dementia definition revealed no between-subgroup difference (P = 0.71) between tool-based and register/criteria-based subgroups. No possibility of Publication bias was observed upon inspection of the funnel plot.

Conclusion
Adverse childhood experiences may be associated with an increased risk of dementia. However, caution is warranted in interpreting these results due to the limited number of studies. Larger high-quality studies investigating the association between ACEs and dementia risk are needed to confirm the reliability of our results.