bluuebunny/crossref_metadata_2025_split huggingface dataset:
Inbreeding Effect on Maternal Mortality and Fertility in the Habsburg Dynasty
Authors: Ceballos Francisco C. , Vilas Román , Álvarez Gonzalo 
Published: October 2024

ABSTRACTObjectiveWe investigated inbreeding effects on longevity and fertility in the House of Habsburg, one of the principal royal dynasties of Europe.MethodsA total number of 124 Habsburg marriages, involving 107 men and 124 women, in the period of approximately 1450–1800 were considered for the analysis. Kinship and inbreeding coefficients were computed from genealogical information, which included more than 8000 individuals.ResultsWe found a significant negative association between age of death and inbreeding coefficient (F) in those women who had children (regression coefficient b = −1.06, p = 0.0008). This result led us to investigate possible inbreeding effects on maternal mortality in the period of 4 weeks after the childbirth. A strong inbreeding depression on maternal survival was detected through the Kaplan–Meier curve for groups of women with different level of inbreeding (log‐rank test p = 0.0001) and the Cox proportional hazards regression analysis (hazard ratio = 2.36, p = 0.0008). Effect on fertility was also found as more inbred women had longer interbirth intervals (b = 154.66, p = 0.022). Effects of male or female inbreeding on the number of children per woman were not detected through zero‐inflated regression models suggesting that reproductive compensation might be occurring among the more inbred and less‐fecund women.ConclusionThe effect of inbreeding in adulthood in the Habsburg lineage was at least as important as that previously reported on prereproductive survival. To our knowledge, our results are the first evidence of an inbreeding effect on maternal mortality in humans.
Actuation Performance and Versatility of Photothermally Driven Organic Crystals
Authors: Hasebe Shodai , Hagiwara Yuki , Asahi Toru , Koshima Hideko 
Published: October 2024

AbstractPhotomechanical crystals exhibit mechanical motion upon light irradiation and may thus find applications as actuators. Over the last decades, many photomechanical organic crystals have been developed, commonly via photochemical reactions, particularly photoisomerization. However, photochemical crystal actuation is associated with several drawbacks, including a limited number of available crystals, slow actuation speed (<5 Hz), and narrow wavelength range (<550 nm). Such constraints have hindered the widespread use of crystals as actuation materials. In this minireview, we focus on crystal actuation by employing more universal physical phenomena (the photothermal effect and photothermally resonated natural vibration) and quantitatively evaluate actuation performance. Both mechanisms, particularly the latter, outperformed conventional photomechanical crystal activation in terms of both speed (maximum: 1,350 Hz) and the useful wavelength range (ultraviolet to near‐infrared). The oscillation frequencies of the crystals exceeded those of polymers, efficiently filling the gap between soft and hard materials. Both the photothermal effect and natural vibration can actuate any crystal that absorbs light. These two versatile physical actuation mechanisms could expand 40 years of research on photomechanical crystals—which had been based on photochemical reactions—from the realm of chemistry into engineering and lead to their practical applications in actuators and soft robots.
[C^C^C]‐Type Pincer Carbene Complexes of Rhodium(III): Synthesis and Catalytic Applications
Authors: Ge Lingyun , Li Ting , Duan Yu'ai , Feng Rui , Guo Shuai 
Published: October 2024

ABSTRACTNHC pincers (NHC = N‐heterocyclic carbene), which combine the structural benefits of both carbenes and pincer platforms, have shown diverse applications, spanning from fundamental organometallic chemistry to homogeneous catalysis. Although aryl‐bridged bis(NHCs) represent the earliest developed and most studied type of NHC pincers, such [C^C^C]‐platforms have been underutilized in the synthesis of rhodium complexes. In this study, we present several less explored organorhodium(III) complexes featuring [C^C^C]‐pincers. Their synthetic route via a convenient oxidative addition approach has been explored, and the obtained cyclorhodium(III) complexes show versatile coordination geometry (square pyramidal or octahedral). Additionally, these cyclorhodium(III) complexes exhibit very different regioselectivity in catalytic alkyne hydrosilylations compared to known Rh(III) NHC catalytic systems. Finally, a few mechanistic studies have also been conducted, and a plausible mechanism was proposed.
Investigating the impact of coagulation bath temperature on the properties of biphasic calcium phosphate/poly(vinylidene fluoride)‐based membrane scaffold via immersion precipitation
Authors: Mutlu Büşra , Demirci Fatma , Duman Şeyma 
Published: October 2024

AbstractIn this study, composite membrane scaffolds comprising poly(vinylidene fluoride) (PVDF) and boron‐containing biphasic calcium phosphate (BCP) are developed using a non‐solvent‐induced phase separation technique at coagulation bath temperatures of −5, 0, 10, and 20 °C. The morphology, pore size and tensile strength of the scaffolds are primarily influenced by the bath temperature. Moreover, raising the bath temperature enhances the thermal properties and β‐crystalline phase fraction. Results demonstrate that changes in the temperature increase the surface hydrophilicity and reduce the degree of swelling. According to the in vitro bioactivity analysis, apatite growth is affected by the interactive relation between the surface of the samples and the simulated body fluid (SBF) medium, in addition to the superior bioactivity of the scaffolds. In vitro cytotoxicity assay results confirm the extensive spreading of L‐929 cells on the sample surfaces, indicating the high biocompatibility of the scaffolds. Based on these favorable properties, the novel composite membranes produced, particularly at 20 °C coagulation bath temperature, may contribute to applications in bone tissue engineering.
First record of rhynchosaurs (Archosauromorpha: Rhynchosauria: Hyperodapedontinae) from the early Late TriassicSantacruzodonAssemblage Zone of the Santa Maria Supersequence, Brazil
Authors: Battista Francesco , Martinelli Agustín G. , Ribeiro Ana Maria , de Andrade Marco Brandalise , Schultz Cesar L. 
Published: October 2024

AbstractRhynchosauria is a group of extinct, exclusively Triassic, terrestrial, and herbivorous archosauromorphs, characterized by a peculiar maxillary‐mandibular apparatus. They reached global distribution during the Carnian, with the Hyperodapedontinae clade. The rhynchosaurian record from South America is included in the Ladinian‐?earliest Carnian Dinodontosaurus Assemblage Zone (Pinheiros‐Chiniquá Sequence, Brazil) and Tarjadia Assemblage Zone (Chañares Formation, Argentina), and for strictly Carnian Hyperodapedon Assemblage Zone (Lower Candelária Sequence, Brazil) and Ischigualasto Formation (Argentina). Here, we present the first record of Hyperodapedontinae from the Brazilian Early Carnian Santacruzodon Assemblage Zone (Santa Cruz Sequence). The most diagnostic elements belong to a nearly complete left pes, which presents a combination of hyperodapedontine traits. The presence of a second individual of cf. Hyperodapedontinae is based on a fragmentary, isolated left metatarsal IV. An isolated fragment of premaxilla could belong to the second specimen (based on preservation mode) or to a third individual. This new report fills a gap within the South American rhynchosaurian distribution, strengthening biostratigraphic correlation with other regions from Gondwana (i.e., Madagascar), where similar and coeval faunas are known. The inclusion of these specimens in a phylogenetic dataset resulted in low resolution results, due to missing data because postcranial characters for rhynchosaurs are still poorly explored.
Erfassung von bestehenden Instandsetzungen an Sichtbetonbauten
Authors: Dauberschmidt Christoph , Hinz Elisabeth , Putz Anthea , Putz Andreas 
Published: October 2024

AbstractZiel des Projekts ist es, frühere Instandsetzungen an Sichtbetonbauwerken der Hochmoderne sowohl denkmalpflegerisch wie auch bautechnisch zu bewerten und vernetzte Strategien für einen erhaltenden Umgang zu entwickeln. Während die Notwendigkeit einer regelmäßigen Überwachung und Bewertung des Zustands dieser schützenswerten Bauten allgemein anerkannt wird, fehlen bisher auf diese interdisziplinäre Fragestellung abgestimmte Standards als Basis für Monitoring‐Strategien. Im Folgenden werden im Rahmen des Forschungsprojekts entwickelte methodische Ansätze vorgestellt. Das an der Technischen Universität München entwickelte Aufnahmeverfahren Sirius‐H ermöglicht die qualitative Dokumentation von Sichtbetonoberflächen. Gleichzeitig wird quantitativ ihre farbliche Heterogenität mittels Spektralfotometer und parafotografischen Diagrammen analysiert. Die an der Hochschule München entwickelte Messvorrichtung CoMooD zur Elementstrommessung erlaubt eine Abschätzung des Schädigungsrisikos. Mit ihr kann quantitativ die Korrosionsrate bei carbonatisierungsinduzierter Bewehrungskorrosion ermittelt werden. Insbesondere an schützenswerten Bauwerken sind nicht invasive Untersuchungen erforderlich, deren Ergebnisse langfristig dokumentierbar und reproduzierbar sein müssen, um ein begleitendes, kontinuierliches Monitoring zu gewährleisten. Anhand von Untersuchungsergebnissen wird beispielhaft aufgezeigt, dass beide Methoden geeignet sind, erprobte Verfahren der Zustandserfassung zu ergänzen.
An Approach to Estimate the Refractive Index and the Electronic Polarizability of the Ternary Ag2O‐B2O3‐TeO2 Glasses
Authors: El‐Zaibani M. , El Agammy E. F. , Al Naim Abdullah F. , Alzahrani Eman , Al‐Muntaser A. A. 
Published: October 2024

ABSTRACTEach of the static properties such as refractive index (n0), cation (), and anion () oxide polarizabilities for the ternary 30Ag2O⋅xB2O3⋅(70 − x)TeO2 (30AgBTe) glasses has been predicted theoretically from those of the binary 30Ag2O‐70B2O3 and 30Ag2O‐70TeO2 glasses. This can be done based on two assumptions: that each of these static properties (n0, , and ) can be considered as an additive property and that ternary 30AgBTe glasses can be treated as a mixture of two binary 30Ag2O‐70B2O3 and 30Ag2O‐70TeO2 glasses. In addition, n0 values for the ternary 30AgBTe glasses can be predicted in terms of and values for the ternary 30AgBTe glasses, and these later properties can be predicted from that of two binaries like as n0 at first stage. The n0 values obtained by using two methods are exactly the same for the corresponding compositions in the studied glasses, confirming the validity of the two assumptions and the procedure described in the present work. This conclusion is valid for the ternary glasses with a fixed content of either basic former/or modifier oxides for all compositions such as xPbO⋅(40 − x)Sb2O3⋅60B2O3 and 30Ag2O⋅xB2O3⋅(70 − x)TeO2 glasses, respectively.
Empowering minoritized Alabamians screened for lung cancer—The Alabama Lung Cancer Awareness Screening and Education (ALCASE) project
Authors: Niranjan Soumya J. , Tipre Meghan , Hardy Claudia M. , Bowman Tara , Baskin Monica L. 
Published: October 2024

AbstractBackgroundIn Alabama only 4% of those eligible have been screened for lung cancer. The ALCASE project focused on navigating eligible individuals to lung cancer screening.MethodsTrained local staff enrolled screen eligible individuals from seven rural counties and one urban county. Demographics and knowledge of and barriers to lung cancer screening were collected using questionnaires. Education was provided and individuals were navigated to undergo screening. Descriptive statistics for enrolled and screened participants were computed using SAS 9.4. Debriefing interviews were conducted with the ALCASE staff regarding facilitators/barriers to implementing this project and lessons learned. Using NVivo, themes were identified through a combined deductive and inductive process.ResultsIn total, 447 people were contacted of which 257 were enrolled. Participants were predominantly African American (86.8%), female (56.8%), and 86.4% had health insurance. Study participants acknowledged the need for more education of lung cancer/screening procedures; help navigating clinics for screening services and having healthcare facilities close to home. The top five barriers to getting screened were transportation, financial issues, emotional concerns, healthcare insurance, and COVID‐19. Of the 257, 106 participants (41%) completed a primary care referral and were screened for lung cancer. Debriefing interviews revealed: (i) Overall impressions of implementing ALCASE were positive. (ii) Barriers in implementing ALCASE were identified predominantly at the physician and institutional level. (iii) Facilitators in implementing ALCASE were identified at multiple levels. (iv) Suggestions on improving lung cancer screening leaned toward mitigating barriers at the institutional and structural level.ConclusionAbility to get screened is severely challenged by both personal and structural barriers.
Exploring the Antimalarial Potential of Entandrophragma Utile and Melochia Umbellata Extracts
Authors: Ngouana Vincent , Tsouh Fokou Patrick Valere , Youbi Kamche Aubin , Kemzeu Raoul , Melogmo Dongmo Yanick Kevin , Tsakem Nangap Marius Jaures , Fekam Boyom Fabrice 
Published: October 2024

AbstractResistance remains the fundamental problem with antiplasmodial treatments. The study investigated the antiplasmodial, cytotoxic, and antioxidant properties of two Cameroonian medicinal plants, Entandrophragma utile and Melochia umbellata. Antimalarial activity against Plasmodium falciparum strains 3D7 and Dd2 was assessed using the SYBR Green I assay. Cytotoxicity was assessed against Raw and Vero cells using the resazurin assay, and against red blood cells using a hemoglobin release quantification assay. Antioxidant potential was determined using DPPH (2, 2‐diphenyl‐1‐picrylhydrazine), ABTS (2, 2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulphonic acid), and FRAP (ferric‐reducing antioxidant power) assays. The most bioactive extract was further analyzed using ultra‐high‐performance liquid chromatography‐mass spectrometry (UHPLC‐MS) to determine its phytochemical composition. Extracts from E. utile exhibited moderate anti‐malarial activity against Plasmodium falciparum (IC50 =32.81–100 μg/mL), while M. umbellata leaf extract (MULAE) showed strong activity (IC50 =11.62 and 11.91 μg/mL). All extracts demonstrated antioxidant activity (9.22 to 135.8 μg/mL), were selective for Raw and Vero cells, and were not toxic to red blood cells. UHPLC‐MS analysis annotated potential pyrimidones, phenolic compounds, and terpenoids in MULAE. MULAE exhibited better antiplasmodial activity, suggesting the presence of unique bioactive compounds. Further research, including in vivo investigations, is needed to develop safe and effective antiplasmodial therapies.
Anti‐Malarial Activity of Amentoflavone Isolated from Leaf of Calophyllum Tomentosum Wight
Authors: Bauri Ajoy K. , Butler Joshua H. , Cassera Maria B. , Foro Sabine 
Published: October 2024

AbstractCalophyllum tomentosum belonging to Clusiaceae family is an Indian medicinal plant used as folklore medicine to cure various kinds of diseases reported in Ayurveda, and the leaves of the plant are also used as an active ingredient for the preparation of a botanical medicine known as ‘Punnaga’, ‘Surapunnaga’ and ‘Tamoil’ among other common names. Chemical profiling of the methanol extract of the defatted leaf revealed the presence of amentoflavone (1) as one of the constituents along with coumarins, terpenoids, steroids, and apetalic acids. Structural determination of amentoflavone (1) has been conducted by chemical, spectral, and spectrometric methods in comparison with spectral values available in the literature and confirmed by a single crystal X‐ray diffraction study. Amentoflavone (1) and its derivative (2–5) tested to check the efficacy of anti‐malarial activity against Plasmodium falciparum. Amongst them, only tetra methoxy amentoflavone, (2) exhibited moderate anti‐malarial activity with IC50 value 1.99±0.42 μM against Plasmodium falciparum in comparison with artemisinin as control, whereas the other products possessed almost negligible activity although their structural skeletons are identical with little variation of number and nature of substituents. The structure activity relationship (SAR) of the active constituent and its derivatives is reported herein.
Enhanced Biological Potential and Phytochemical Profiling of Phoenix Dactylifera Leaves (Deglet Nour and Alig) by Kombucha Fermentation: Focus on Polyphenols, Antioxidant, Antidiabetic, and Cytotoxic Activities
Authors: Mouguech Najet , Taillandier Patricia , Bouajila Jalloul , Romdhane Mehrez , Etteyeb Naceur 
Published: October 2024

AbstractThe date palm, scientifically known as Phoenix dactylifera, is an important cultural and economic source of wealth in southern Tunisia. It produces considerable agricultural waste, including palm leaves, the disposal of which is often a challenge. Our study addresses the sustainable conversion of date palm leaves into a valuable product through kombucha fermentation, focusing on two widely used varieties in Tunisia: Deglet Nour and Alig. HPLC‐RI analysis showed a significant difference in the fermentation process between the treated samples, which is reflected in the highest sugar consumption and metabolite production in Alig palm. Unfermented and fermented date palm leaves were sequentially extracted with solvents of increasing polarity (ethyl acetate and butanol) to evaluate their chemical composition and bioactivity. The results showed that kombucha fermentation significantly increased the total phenolic content, with the highest amounts in the ethyl acetate fraction. In terms of antioxidant activity, the ethyl acetate extracts showed a high percentage inhibitory activity (82.76 %) against the DPPH radical found in fermented Palm Alig, which also exhibited the most important antidiabetic capacity (resulting in an IC50 value of 20 μg/mL). The chemical analyses resulted in the detection of 19 compounds by HPLC‐DAD and 50 volatiles by GC‐MS, which are mainly found in kombucha extracts.
Determinants of Product Outcome in Two Sesquiterpene Synthases from the Thermotolerant Bacterium Rubrobacter radiotolerans
Authors: Whitehead Joshua N. , Leferink Nicole G. H. , Hay Sam , Scrutton Nigel S. 
Published: October 2024

AbstractRubrobacter radiotolerans nerolidol synthase (NerS) and trans‐α‐bergamotene synthase (BerS) are among the first terpene synthases (TPSs) discovered from thermotolerant bacteria, and, despite sharing the same substrate, make terpenoid products with different carbon scaffolds. Here, the potential thermostability of NerS and BerS was investigated, and NerS was found to retain activity up to 55 °C. A library of 22 NerS and BerS variants was designed to probe the differing reaction mechanisms of NerS and BerS, including residues putatively involved in substrate sequestration, cation‐π stabilisation of reactive intermediates, and shaping of the active site contour. Two BerS variants showed improved in vivo titres vs the WT enzyme, and also yielded different ratios of the related sesquiterpenoids (E)‐β‐farnesene and trans‐α‐bergamotene. BerS−L86F was proposed to encourage substrate isomerisation by cation‐π stabilisation of the first cationic intermediate, resulting in a greater proportion of trans‐α‐bergamotene. By contrast, BerS−S82L significantly preferred (E)‐β‐farnesene formation, attributed to steric blocking of the isomerisation step, consistent with what has been observed in several plant TPSs. Our work highlights the importance of isomerisation as a key determinant of product outcome in TPSs, and shows how a combined computational and experimental approach can characterise TPSs and variants with improved and altered functionality.
Selective Hydrogenation of 5‐Hydroxymethylfurfural to 5‑Hydroxymethyltetrahydrofurfural Over Heterogeneous Pd Catalyst Under Mild Conditions
Authors: Liu Jinlian , Jiang Liang , Xing Bo , Zhang Fuping , Wang Yi , Zhao Qilong , Wu Mingliang , Chen Xin , Yang Guo 
Published: October 2024

Abstract5‐Hydroxymethylfurfural (5‐HMF) derived from lignocellulose represents an important platform molecule that could be employed in the selective hydrogenation of the furan ring to prepare 5‑hydroxymethyltetrahydrofurfural (HMTHF). However, the reported catalytic systems for the synthesis of HMTHF using 5‐HMF still require additional hydrogen pressure. In this study, the Pd/ZrO2 catalyst with uniformly dispersed Pd nanoparticles was prepared via a simple impregnation reduction process. This catalyst exhibited excellent catalytic activity and selectivity for the hydrogenation of 5‐HMF to HMTHF. High HMTHF yields up to 92.3% were produced under mild reaction conditions of ambient hydrogen pressure and room temperature in methanol solvent. This result was superior to the most catalytic systems that had been reported so far. The mechanism study revealed that the active hydrogen species on the surface of the Pd nanoparticles and the reaction solvent in this study were the pivotal factors influencing the hydrogenation of furan rings in 5‐HMF.
Deep Information Retention Network‐Enabled Data Modeling for Key Quality Indicator Prediction in the Chemical Industry
Authors: Luo Jiang , Wang Yalin , Liu Chenliang , Yuan Xiaofeng , Wang Kai 
Published: October 2024

ABSTRACTDeep learning has attracted widespread attention in data modeling and key quality indicator prediction in the chemical industry. However, traditional deep learning networks usually distort the original data distribution due to the superposition effect of multiple layers of nonlinear activation functions. In this case, multivariate statistical learning techniques present an avenue to reveal the intrinsic relationship of the data by combining the linear trends between input and predictor variables. To comprehensively capture data features from multiple perspectives, this study proposes a deep learning‐based data modeling network called the information retention unit (IRU). This network combines intrinsic attributes to partial least squares (PLS) and autoencoder (AE) modalities, thus engendering an adaptive response to the complex linear and nonlinear data features. Furthermore, multiple IRUs can be stacked to construct a deep information retention network (DIRN), which enhances the robust extraction of deep data features. Finally, the effectiveness of the proposed network is validated through its prediction application on a dataset obtained from a real‐world chemical industrial process. This method combines multivariate statistical learning techniques based on deep learning, providing an innovative and practical solution for data analysis and prediction in the chemical industry.
Nitrate‐Anion‐Induced Formation of a 2D Metal‐Organic Framework with an Unconventional Kagomé Lattice Exhibiting Methanol‐Mediated Ketone Catalysis
Authors: Kumar Dhara Ashish , Fu Cheng , Bao Song‐Song , Su Qian‐Qian , Ma Xiu‐Fang , Qin Ye‐Hui , Ma Jing , Zheng Li‐Min 
Published: October 2024

AbstractMetal‐organic frameworks (MOFs) with kagomé lattice are attractive for their unique physical and chemical properties, but little attention has been paid to their catalytic properties. Herein, we report a 2D MOF based on a phosphonato‐amino‐carboxylate ligand (NaHL), i. e., [Na0.33Co(L)(CH3OH)2](NO3)0.33 (2), which exhibits an unconventional kagomé lattice. The formation of this kagomé lattice is caused by the selective recognition of the NO3− anion by the phenolato group of L2− as evidenced by theoretical calculations. Compound 2 can be utilized for the α‐methoxymethylation and aminomethylation of aromatic ketones using methanol as a C1 source. Interestingly, compound 2 can be exfoliated in‐situ into nanosheets with one‐layer thickness under catalytic reaction conditions, which improves the catalytic efficiency. Based on the results of experiments and theoretical calculations, we proposed possible pathways for the catalytic reaction.