bluuebunny/crossref_metadata_2025 huggingface dataset:
DNA Morphology: Global Alteration of DNA Topological States Induced by Chemotherapeutic Agents and Its Implication in Cancer
Authors: Ahammed Khondakar Sayef , Pachal Sangita , Majumdar Papiya , Dutta Sanjay
Published: February 2023

The dynamic topological states of chromosomal DNA regulate many cellular fundamental processes universally in all three domains of life, that is, bacteria, archaea, and eukaryotes. DNA‐binding proteins maintain the regional and global supercoiling of the chromosome and thereby regulate the chromatin architecture that ultimately influences the gene expression network and other DNA‐centric molecular events in various microenvironments and growth phases. DNA‐binding small molecules are pivotal weapons for treating a wide range of cancers. Recent advances in single‐molecule biophysical tools have uncovered the fact that many DNA‐binding ligands not only alter the regional DNA supercoiling but also modulate the overall morphology of DNA. Here we provide insight into recent advances in atomic force microscopy (AFM) acquired DNA structural change induced by therapeutically important mono‐ and bis‐intercalating anticancer agents as well as DNA‐adduct‐forming anticancer drugs. We also emphasize the growing evidence of the mechanistic relevance of changes in DNA topology in the anticancer cellular responses of DNA‐targeting chemotherapeutic agents.
Theranostic Nanoprobes with Aggregation‐Induced NIR‐II Emission: from Molecular Design to Biomedical Application
Authors: Jiang Yajing , Zhu Linlin , Wu Wenbo
Published: February 2023

The development of fluorophores with other powerful features has received much attention for the diagnosis and treatment of diseases. Nanoprobes (NPs) with aggregation‐induced emission (AIE) have demonstrated superior performance in deeper penetration depth with better resolution, higher signal‐to‐noise ratio, and lower side effects in the second near‐infrared window (NIR‐II, 1000–1700 nm) than in any other range. Herein, the latest advances in NIR‐II AIE NPs in cancer theranostics are summarized. In particular, we focus on the design of multifunctional AIE agents with both strong NIR‐II emission and effective photothermal conversion or reactive oxygen species (ROS) production, as well as their translational biomedical applications, including imaging diagnosis, image‐guided surgery, and image‐guided phototherapy, etc. At the end of this review, the opportunities and challenges of this field are also discussed.
Crosslinked Aggregates of Fusion Enzymes in Microaqueous Organic Media
Authors: Vernet Guillem , Ma Yu , Zhang Ningning , Kara Selin
Published: February 2023

Baeyer‐Villiger monooxygenases (BVMOs) are attractive for selectively oxidizing various ketones using oxygen into valuable esters and lactones. However, the application of BVMOs is restrained by cofactor dependency and enzyme instability combined with water‐related downsides such as low substrate loading, low oxygen capacity, and water‐induced side reactions. Herein, we described a redox‐neutral linear cascade with in‐situ cofactor regeneration catalyzed by fused alcohol dehydrogenase and cyclohexanone monooxygenase in aqueous and microaqueous organic media. The cascade conditions have been optimized regarding substrate concentrations as well as the amounts of enzymes and cofactors with the Design of Experiments (DoE). The carrier‐free immobilization technique, crosslinked enzyme aggregates (CLEAs), was applied to fusion enzymes. The resultant fusion CLEAs were proven to function in microaqueous organic systems, in which the enzyme ratios, water contents (0.5–5 vol. %), and stability have been systematically studied. The fusion CLEAs showed promising operational (up to 5 cycles) and storage stability.
The evolution of medical resident training and healthcare delivery: Good riddance to the “July effect”
Authors: Iyengar Amrita , Moliterno David J.
Published: February 2023

Key Points

The present observational study from the National Inpatient Sample found no evidence of a “July effect” associated with acute myocardial infarction (AMI) in‐hospital mortality rates in teaching hospitals.

Multifactorial quality improvement in the delivery of care for AMI patients has ameliorated potentially detrimental effects of trainee inexperience historically observed in high‐risk admissions.

Efforts to minimize unnecessary variability in care delivery and to consistently implement guideline‐directed medical therapy are ongoing via electronic health record software.
Experimental and Theoretical Exploration of ESIPT in a Systematically Constructed Series of Benzimidazole Based Schiff Base Probes: Application as Chemosensors
Authors: Bag Riya , Sikdar Yeasin , Sahu Sutapa , Majharul Islam Md , Mandal Sukhendu , Goswami Sanchita
Published: February 2023

Herein, we have utilized 2‐(2‐hydroxyphenyl)benzimidazole (HBI) to synthesize 3‐(1H‐benzoimidazol‐2‐yl)‐2‐hydroxy‐5‐methyl‐benzaldehyde (HBIA) followed by three Schiff bases by using –ortho (H2BIo), ‐meta (H3BIdm) and ‐para (H2BIp) substituted amino benzoic acids and studied their photophysical properties. We have successfully derived molecular structures of HBI, HBIA and H3BIdm which reveals that in HBI and HBIA, the phenolic −OH is intramolecularly hydrogen bonded with sp2 N of benzimidazole group whereas in H3BIdm, it is hydrogen bonded with imine C=N of Schiff base moiety, which is responsible for different solid state emission properties of the reported compounds. Extensive experimental and theoretical studies show that for all three Schiff bases, in solution due to activation of C=N isomerization, ESIPT operates through benzimidazole site and displays different emission from the solid state. Furthermore, H2BIo, H3BIdm and H2BIp selectively sense Cu2+ in semi aqueous medium with nano‐molar detection limit and in HuH‐7 cells through the inhibition of ESIPT of process.
Orientational Control of Circularly Polarized Luminescence from Pyrene Clusters by Using a DNA Scaffold
Authors: Kashida Hiromu , Ito Yuka , Kakuta Takahiro , Ogoshi Tomoki , Asanuma Hiroyuki
Published: February 2023

We have investigated the chiroptical activities of pyrene clusters incorporated within a DNA duplex. Three pyrene derivatives were prepared on d‐threoninol linkers to allow incorporation within a DNA strand. DNA scaffolds containing dimers, tetramers, and hexamers of the pyrene derivatives were prepared. The homodimers of 1‐ and of 4‐pyrenecarboxylic acid, but not 2‐pyrenecarboxylic acid, emitted intense circularly polarized luminescence signals. Although increasing the number of pyrene units weakened the signal, insertion of natural base pairs between two dimers enhanced its intensity. Interestingly, circularly polarized luminescence intensities varied non‐monotonically depending on the number of intervening base pairs, thus indicating the importance of orientation between pyrene dimers. The results presented here could lead to the development of bright circularly polarized luminescence materials and probes.
Funneled Depolymerization of Ionic Liquid‐Based Biorefinery “Heterogeneous” Lignin into Guaiacols over Reusable Palladium Catalyst
Authors: Choudhary Hemant , Das Lalitendu , Pelton Jeffrey G. , Sheps Leonid , Simmons Blake A. , Gladden John M. , Singh Seema
Published: February 2023

The efficient utilization of lignin, the direct source of renewable aromatics, into value‐added renewable chemicals is an important step towards sustainable biorefinery practices. Nevertheless, owing to the random heterogeneous structure and limited solubility, lignin utilization has been primarily limited to burning for energy. The catalytic depolymerization of lignin has been proposed and demonstrated as a viable route to sustainable biorefinery, however, low yields and poor selectivity of products, high char formation, and limited to no recycling of transition‐metal‐based catalyst involved in lignin depolymerization demands attention to enable practical‐scale lignocellulosic biorefineries. In this study, we demonstrate the catalytic depolymerization of ionic liquid‐based biorefinery poplar lignin into guaiacols over a reusable zirconium phosphate supported palladium catalyst. The essence of the study lies in the high conversion (>80 %), minimum char formation (7–16 %), high yields of guaiacols (up to 200 mg / g of lignin), and catalyst reusability. Both solid residue, liquid stream, and gaseous products were thoroughly characterized using ICP‐OES, PXRD, CHN analysis, GC‐MS, GPC, and 2D NMR to understand the hydrogenolysis pathway.
Orbital Nature of Carboionic Monoradicals Made from Diradicals
Authors: Valdivia Abel Cardenas , Dai Yasi , Rambaldi Filippo , Barker Joshua E. , Dressler Justin J. , Zhou Zheng , Zhu Yikun , Wei Zheng , Petrukhina Marina A. , Haley Michael M. , Negri Fabrizia , Casado Juan
Published: February 2023

The electronic, optical, and solid state properties of a series of monoradicals, anions and cations obtained from starting neutral diradicals have been studied. Diradicals based ons‐indacene and indenoacenes, with benzothiophenes fused and in different orientations, feature a varying degree of diradical character in the neutral state, which is here related with the properties of the radical redox forms. The analysis of their optical features in the polymethine monoradicals has been carried out in the framework of the molecular orbital and valence bond theories. Electronic UV‐Vis‐NIR absorption, X‐ray solid‐state diffraction and quantum chemical calculations have been carried out. Studies of the different positive‐/negative‐charged species, both residing in the same skeletalπ‐conjugated backbone, are rare for organic molecules. The key factor for the dual stabilization is the presence of the starting diradical character that enables to indistinctively accommodate a pseudo‐hole and a pseudo‐electron defect with certainly small reorganization energies for ambipolar charge transport.
Torsional Rotation in Ditopic Receptor Host and its Complex Formation with Resorcinol Guest: A Computational Study
Authors: Singh Haobam Kisan , Sarma Manabendra
Published: February 2023

Noncovalent interactions due to the presence of heteroatoms in supramolecular compounds have gained a lot of attention. These different heteroatom‐based supramolecular compounds have inspired us to examine the noncovalent interaction in the isolated host and host‐guest complexes. In view of this, in the current manuscript, we investigated the stability and torsional energy barrier of different conformers of the ditopic receptor host 1,6‐bis(2,6‐bis(benzothiazol‐2‐yl) pyridine‐4‐yloxy) hexane (bbh). The conformer that is accompanied by intramolecular C−H⋯N and C−H⋯S interactions is relatively more stable than the others. Due to torsional angle rotation within the host, the C−H⋯N and C−H⋯S interactions get disrupted and exhibit different binding sites for capturing guest molecules. In addition, we have extended the investigation to understand the interaction energy and nature of interaction in host‐guest (1 : 1 and 1 : 2) complexes formed between the host (bbh) and guest (resorcinol) by using different DFT functionals. Extended transition state‐natural orbital chemical valence (ETS‐NOCV) analysis of complexes revealed that the electrostatic interaction significantly contributes to the host‐guest interaction energy. The noncovalent (NCI) analysis provides the existence of intermolecular hydrogen bonding and other weak interactions within the complexes.
Interaction of Cyanoacrylate with Metal Oxide Surfaces (Cu, Al)
Authors: Moritz Philipp , Höfft Oliver , Wegewitz Lienhard , Maus‐Friedrichs Wolfgang
Published: February 2023

Cyanoacrylates are an extremely reactive class of adhesives. Despite their commercial use as instant adhesives, the adhesion mechanism, especially to technically relevant oxidized metal surfaces, has not yet been sufficiently investigated. In the present work, ultra‐thin ethyl cyanoacrylate films are deposited on copper oxide and aluminum oxide by spin coating and cured there. Various surface sensitive spectroscopy methods are used to identify possible interactions. X‐Ray photoelectron spectroscopy (XPS) indicates, among other information, hydrogen bonding of the carbonyl group to the oxidized surfaces. Metastable induced electron spectroscopy (MIES) measurements support the theory of this preferential molecular orientation. In addition, XPS shows the presence of an ionic carboxylate (COO−) species at the interface. Infrared reflection adsorption spectroscopy (IRRAS) measurements confirm this ionic interaction and furthermore allow to investigate the influence of water on the reaction. A possible interaction mechanism of cyanoacrylates with metal oxides could be proposed. The formation of a carboxylate species probably occurs by hydrolysis of the ethyl group via the intermediate of a carboxyl (COOH) species.
Kinetics of Circulating Extracellular Vesicles Over the 24‐Hour Dosing Interval After Low‐Dose Aspirin Administration in Patients at Cardiovascular Risk
Authors: Liani Rossella , Simeone Paola Giustina , Tripaldi Romina , D'Ardes Damiano , Creato Valeria , Pepe Raffaele , Lessiani Gianfranco , Bologna Giuseppina , Cipollone Francesco , Marchisio Marco , Lanuti Paola , Santilli Francesca
Published: February 2023

Extracellular vesicles (EVs) are small vesicles deriving from all cell types during cell activation, involved in transcellular communication, and regarded as predictors of vascular damage and of cardiovascular events. We tested the hypothesis that, in patients on chronic low‐dose aspirin treatment for cardiovascular prevention, aspirin may affect the release of EVs within the 24‐hour interval. We enrolled 84 patients, mostly at high or very high cardiovascular risk, on chronic low‐dose aspirin treatment. The numbers of circulating EVs (cEVs) and annexinV+ cEVs (total, platelet‐derived, endothelial‐derived, and leucocyte‐derived) were assessed immediately before, and after 10 and 24 hours of a witnessed aspirin administration. Platelet cyclooxygenase 1 (COX‐1) recovery was characterized by measuring serum thromboxane B2 (sTXB2) at the same timepoints. Nine healthy participants were also enrolled. In patients, daily aspirin administration acutely inhibited after 10 hours following aspirin administrations the release of cEVs (total and leukocyte‐derived) and annexinV+ cEVs (total, platelet‐derived, endothelial‐derived, and leukocyte‐derived), with a rapid recovery at 24 hours. The inhibition after 10 hours suggests a COX‐1–dependent mechanism. Interestingly, the slope of platelet‐derived and of annexinV+ platelet‐derived cEVs were both directly related to sTXB2 slope and COX‐1 messenger RNA, raising the hypothesis that vice versa, cEVs may affect the rate of COX‐1 recovery and the subsequent duration of aspirin effect. In healthy participants, no circadian difference was observed, except for leukocyte‐derived cEVs. Our findings suggest a previously unappreciated effect of aspirin on the kinetics of a subset of cEVs possibly contributing to the cardioprotective effects of this drug.
Early‐stage evaluation of grazed tetraploid bahiagrass experimental entries
Authors: Hayes Haley A. , Wallau Marcelo O. , Caram Nicolas , Sollenberger Lynn E. , Kenworthy Kevin E. , van Santen Edzard
Published: February 2023

Bahiagrass (Paspalum notatum Flüggé) cultivars used for forage in the southeastern United States are primarily diploids. Although producers favor tetraploid traits, for example, wider leaf blades and fewer inflorescences, compared to diploids, there are barriers to their greater use, including apomictic reproduction, lesser frost tolerance, and later initiation of spring growth. By overcoming the apomixis barrier, viable tetraploid options are now available. This study compared annual and seasonal forage accumulation (FA), persistence, and nutritive value of nine tetraploid experimental entries and ‘Argentine’ under ‘moderate’ (10‐cm stubble, 4‐week grazing interval) and ‘intensive’ grazing (5‐cm stubble, 2‐week grazing intervals) during 2020 and 2021. More upright‐growing entries, such as Hybrids 3 and 93, had greater annual FA than Argentine (8230 and 9160 vs. 6060 kg DM (ha year)−1). Similarly, Hybrids 3 and 93 were 50% more productive in early and late season than most entries. Decumbent entries had 30% greater FA under intensive than moderate grazing, whereas upright types generally had similar FA for both grazing managements. Most entries had comparable digestibility and crude protein as Argentine (∼503 and 124 g kg−1, respectively), and intensive grazing resulted in greater nutritive value than moderate grazing, regardless of entry. All entries maintained high ground cover across grazing treatments (88%–96%). The most striking difference was the superior annual FA and the seasonal distribution of FA for Hybrids 3 and 93 compared with other entries, particularly during spring and fall. This occurred without compromising persistence or nutritive value. Five entries showed superior traits compared to Argentine and should be selected for further evaluation under greater spatial and temporal scales prior to cultivar release.
Engaging CSR in SMEs by exporting: The critical factors of CEOs and markets
Authors: Kim Dongsoo , Lee Jongseon , Kim Nami
Published: February 2023

Corporate social responsibility (CSR) has recently been emphasized as an important focus area of small and medium‐sized enterprises (SMEs) for achieving sustainable competitiveness. As most SMEs have scarce resources, however, their CSR implementation has varied significantly. This study investigated why some SMEs actively engage in CSR by suggesting export participation for CSR engagement. This motive differs from the widely believed motive of SMEs for their active engagement in CSR: their relationships with their local communities. Considering the distinctive features of SMEs, this study also examined how the relationship between SMEs' exports and their CSR engagement is moderated by the influence of the SMEs' CEOs and markets. By studying the CSR activities of 614 SMEs in South Korea drawn from a survey of the Ministry of SMEs and Startups, we found that exporters are more likely to be engaged in CSR. Moreover, the relationship between export participation and CSR was stronger in SMEs with family CEOs and in business‐to‐business‐focused SMEs.
Self‐Adaptive Electronic Structure of Amphoteric Conjugated Ligand‐Modified 3 d Metal−C3N4 Smart Electrocatalyst by pH Self‐Response Realizing Electrocatalytic Self‐Adjustment
Authors: Zhang Beiyi , Li Junqi , Song Qianqian , Pang Lingyan , Hao Xiaodong , Liu Junli , Liu Xiaoxu , Liu Hui
Published: February 2023

Constructing pH‐responsive smart material provides a new opportunity to address the problem that traditional electrocatalysts cannot achieve both alkaline oxygen evolution reaction (OER) and acidic hydrogen evolution reaction (HER) activities. In this study, amphoteric conjugated ligand (2‐aminoterephthalic acid, BDC‐NH2)‐modified 3d metal‐anchored graphitic carbon nitride (3d metal−C3N4) smart electrocatalysts are constructed, and self‐adaptation of the electronic structure is realized by self‐response to pH stimulation, which results in self‐adjustment of alkaline OER and acidic HER. Specifically, the amino and carboxyl functional groups in BDC‐NH2 undergo protonation and deprotonation respectively under different pH stimulation to adapt to environmental changes. Through DFT calculations, the increase or decrease of electron delocalization range brought by the self‐response characteristic is found to lead to redistribution of the Bader charge around the modified active sites. The OER and HER activities are greatly promoted roughly 4.8 and 8.5 times over Co−C3N4 after BDC−NH2‐induced self‐adaptive processes under different environments, arising from the reduced energy barrier of O* to OOH* and ΔGH*. Impressively, the proposed BDC‐NH2‐induced smart regulation strategy is applicable to a series of 3d metal anchors for C3N4, including Co, Ni and Fe, providing a general structural upgrading method for constructing smart electrocatalytic systems.
Cytological study of 44 cases with solid papillary carcinoma and a systemic review of solid papillary carcinoma and neuroendocrine tumor of the breast
Authors: Yamada Makoto , Otsuki Yoshiro , Ikeya Tomonari , Shimizu Shin‐ichi , Tanioka Fumihiko , Ogawa Hiroshi , Kobayashi Hiroshi
Published: February 2023

Background

Solid‐papillary carcinoma (SPC) of the breast is a rare variant of low‐grade in situ and invasive carcinoma but there are only a few of the cytologic studies.

Methods

We examined 44 cases of SPC of the breast to define the cytologic features. We also made a systemic review of reported cases of SPC and neuroendocrine tumor (NET) of the breast.

Results

Both of our and the reviewed cases with SPC were very similar in the cytologic finding. It included hypercellularity, highly discohesive clusters, numerous isolated cells, small nuclei, finely granular chromatin of salt‐and‐pepper appearance, inconspicuous nucleoli, low nuclear‐cytoplasmic ratio, and a plasmacytoid appearance. Moreover, SPC and NET had frequently all of these features in common. Capillary vessels structures and mucinous substance were not frequently seen in our and the reviewed cases with SPC. Rosette and pseudorosette were very rare in the cytologic specimen. The immunocytochemistry with our 9 cases with SPC indicated diffuse positivity for chromogranin A and/or synaptophysin.

Conclusion

Many cytologic features are frequently shared by SPC and NET of the breast. However, the vascular structure may not be a precise criterion for SPC. Rosette and pseudorosette are rarely helpful for the cytologic diagnosis.
The development of interoceptive hunger signals
Authors: Stevenson Richard J. , Bartlett Johanna , Wright Madeline , Hughes Alannah , Hill Brayson J. , Saluja Supreet , Francis Heather M.
Published: February 2023

Hunger is often reported when people experience certain internal sensations (e.g., fatigue) or when they anticipate that a food will be good to eat. The latter results from associative learning, while the former was thought to signal an energy deficit. However, energy‐deficit models of hunger are not well supported, so if interoceptive hungers are not “fuel gauges,” what are they? We examined an alternate perspective, where internal states signaling hunger, which are quite diverse, are learned during childhood. A basic prediction from this idea is offspring–caregiver similarity, which should be evident if caregivers teach their child the meaning of internal hunger cues. We tested 111 university student offspring–primary caregiver pairs, by having them complete a survey about their internal hunger states, alongside other information that may moderate this relationship (i.e., gender, body mass index, eating attitudes, and beliefs about hunger). We observed substantial similarity between offspring–caregiver pairs (Cohen's ds from 0.33 to 1.55), with the main moderator being beliefs about an energy‐needs model of hunger, which tended to increase similarity. We discuss whether these findings may also reflect heritable influences, the form that any learning might take, and the implications for child feeding practices.
Training the microbiota to increase immune checkpoint blockade and to reduce toxicity
Authors: Rescigno Maria
Published: February 2023

There is no doubt that immunotherapy, particularly immune checkpoint blockade (ICB), has drastically improved treatment of metastatic cancer patients. Microbiota composition has been proposed to be one of the reasons for failure or success. ICB works via the activation or reactivation of T cells that are “switched off” by tumor cells or by the tumor microenvironment. Even advanced metastatic disease, previously considered as untreatable, can benefit from cancer immunotherapy. However, still a good proportion of patients does not respond to therapy or acquires resistance during treatment. Some genera or species of bacteria have been associated with treatment response or toxicity, but as the composition of the microbiota is not static, rather, it is very dynamic there is promise that by changing the microbiota composition, or by harnessing the microbiota ‘secrete’ tricks, one can improve treatment efficacy or reduce toxicity. Several players, including diet, prebiotics, probiotics, and postbiotics, have been proposed to shape the microbiota. In this minireview, we summarize very recent data on how to train the microbiota to increase ICB efficacy and reduce toxicity.
Risk control of host cell proteins in one therapeutic antibody produced by concentrated fed‐batch (CFB) mode
Authors: Lu Yiling , Lin Jun , Bian Tianze , Chen Jin , Liu Dan , Ma Mingjun , Gao Zhen , Chen Jiemin , Ju Dianwen , Wang Xing
Published: February 2023

Multiple control strategies, including a downstream purification process with well‐controlled parameters and a comprehensive release or characterization for intermediates or drug substances, were implemented to mitigate the potential risk of host cell proteins (HCPs) in one concentrated fed‐batch (CFB) mode manufactured product. A host cell process specific enzyme‐linked immunosorbent assay (ELISA) method was developed for the quantitation of HCPs. The method was fully validated and showed good performance including high antibody coverage. This was confirmed by 2D Gel‐Western Blot analysis. Furthermore, a LC‐MS/MS method with non‐denaturing digestion and a long gradient chromatographic separation coupled with data dependent acquisition (DDA) on a Thermo/QE‐HF‐X mass spectrometer was developed as an orthogonal method to help identify the specific types of HCPs in this CFB product. Because of the high sensitivity, selectivity and adaptability of the new developed LC‐MS/MS method, significantly more species of HCP contaminants were able to be identified. Even though high levels of HCPs were observed in the harvest bulk of this CFB product, the development of multiple processes and analytical control strategies may greatly mitigate potential risks and reduce HCPs contaminants to a very low level. No high‐risk HCP was identified and the total amount of HCPs was very low in the CFB final product.
Three‐dimensional fragility surface for reinforced concrete shear walls using image‐based damage features
Authors: Asjodi Amir Hossein , Dolatshahi Kiarash M. , Burton Henry V.
Published: February 2023

This paper proposes a new data‐driven method to generate three‐dimensional fragility surfaces for post‐earthquake damage assessment of reinforced concrete (RC) shear walls (SWs) using image‐based damage features. A research database comprised of 212 images corresponding to 66 damaged reinforced concrete shear walls tested under quasi‐static cyclic loads is utilized. The walls are categorized into three damage states defined based on different load points along the backbone curve. Convolutional kernel‐based filters are then employed to measure the crack patterns and crushed areas from images of the damaged walls. A set of 360,000 sub‐cracks from the 212 images is analyzed using Gaussian mixture modeling to distinguish between shear and flexural cracking. These two types of cracking, along with crushing, are the prominent characteristics used to determine the damage states of the RCSWs. The extracted features of shear and flexural cracking are also compressed into a unique cracking index using the Principal Component Analysis theory for dimensionality reduction. Using the compressed feature of cracking and crushing, a new methodology for generating three‐dimensional fragility surfaces, entitled the Box‐counting method, is introduced, and the damage surfaces are developed based on visual damage features. The damage surfaces are finally formulated using statistical models or machine learning regression learners. The proposed fragility surface can be used for post‐earthquake damage state identification, risk assessment, and loss estimation of damaged RCSWs.
Theoretical study of thermal and magneto‐electronic properties of YbX2 (X = Co and Fe) intermetallic compounds
Authors: Bentouaf Ali , Rached Habib , Azzouz Rached Ahmed
Published: February 2023

In this study, we reported the electronic structure, magnetic stability and thermal properties of the YbCo2 and YbFe2 compounds using the density functional (DFT) full‐potential linearized augmented plane wave (FP‐LAPW) method. We applied in this computation the Hubbard potential (U) on the strongly correlated atoms. The band structures (BS), the density of states (DOS) and the charge densities of these compounds were projected. Moreover, we have calculated the thermal parameters for different values of temperatures and pressures. This work shows a comparative study using both GGA and GGA + U schemes. It is important to note that these compounds are potential candidates in the hydrogen storage applications. To our knowledge, the calculated of the thermodynamic characteristics have not yet been computed; hence, our results serve as a prediction for future applications and research.
A levy flight based strategy to improve the exploitation capability of arithmetic optimization algorithm for engineering global optimization problems
Authors: Dhawale Pravin G. , Kamboj Vikram Kumar , Bath S. K.
Published: February 2023

The existing arithmetic optimization algorithm is a meta‐heuristics algorithm that utilizes distribution behaviors for the different parameters in mathematics. The different mathematical operator like division, subtraction, addition, and multiplication holds the inherent capability to explore global maxima and minima. In the proposed research, levy flight‐based improved arithmetic optimization algorithm has been proposed for better optimal solutions to various engineering design problems. The fundamental arithmetic optimization algorithm's local search is slow and has a slow convergence rate due to its weak exploitation capacity. In the proposed work, the exploration and exploitation phase of the existing arithmetic optimization algorithm has been enhanced using the levy flight mechanism. In order to validate the effectiveness of the proposed optimizer, the improved algorithm has been tested for 23 standard benchmark problems and 10 real‐life engineering design problems. The proposed algorithm has been compared with other classical algorithms like biogeography based optimization algorithm, arithmetic optimization algorithm, moth‐flame optimization algorithm, genetic algorithm, flower pollination algorithm, particle swarm optimization, gray wolf optimization algorithm, BAT algorithm, chi‐square algorithm, firefly algorithm, gravitational search algorithm, and differential evolution algorithm. The obtained result reveals that the proposed hybrid levy flight arithmetic optimization algorithm performs best on the number of test functions including engineering design problems with excellent fitness value and excellent convergence. This article is helpful to improve the exploitation capability of arithmetic optimization algorithms for engineering global optimization problems.
Using a machine learning approach and big data to augment WASDE forecasts: Empirical evidence from US corn yield
Authors: Roznik Mitchell , Mishra Ashok K. , Boyd Milton S.
Published: February 2023

This paper investigates the accuracy of corn yield forecasts using machine learning with satellite and weather data. In addition, the study examines the incremental value of these forecasts to augment the World Agricultural Supply and Demand Estimates (WASDE) forecast. To illustrate the potential of machine learning methods for agricultural forecasting, publicly available data are collected from 1984 to 2021 for national corn yield, state corn yield, satellite variables, and weather variables and used with the XGBoost algorithm. The results show that the XGBoost model performed about the same but did not outperform the WASDE corn yield forecasts over a 12‐year out‐of‐sample period. The incremental value analysis results suggest that the XGBoost and WASDE forecasts capture similar information, and no incremental information exits. Although the XGBoost model does not outperform the WASDE August forecast, it is near real‐time and can be produced using publicly available data. The results indicate that the XGBoost machine learning models can produce reasonably accurate crop yield forecasts.
Oil and gas exploration potential in the exclusive economic zone of the Cuba's sector of the Gulf of Mexico
Authors: Zhang Yunbo , Meng Fanwei , Xu Jie , Liu Baoming , Wu Xinhe , Shi Kuitai , Wang Rui
Published: February 2023

Based on the latest interpretation results of 2D seismic data, combined with drilling, logging, and geochemical data, the reservoir‐forming conditions of the exclusive economic zone in the Cuba's sector of the Gulf of Mexico (Hereinafter refer to GOM) are studied systematically, and the oil and gas accumulation model in the study area is predicted. The favourable exploration zones are evaluated and optimized. The results show that: ① High quality Upper Jurassic‐Lower Cretaceous and potential Middle‐Lower Jurassic source rocks are developed in the study area. ② A set of Upper Jurassic‐Lower Cretaceous petroleum system and a potential Middle‐Lower Jurassic petroleum system are mainly developed in the study area. ③ At present, the proved petroleum system are found in the Upper Jurassic‐Lower Cretaceous strata. The oil and gas mainly comes from the Upper Jurassic‐Lower Cretaceous source rocks, and the reservoirs are mainly Upper Jurassic‐Lower Cretaceous fractured carbonate. The main seals are inter‐reservoir tight limestone, marl, and Palaeocene mudstone. ④ The thrust structural traps in the footwall of the fold thrust belt on the south side of the Florida platform, the margin zones of the Florida platform and Yucatan platform, and the Middle‐Lower Jurassic structural traps on the south side of the Yucatan platform have superior source‐reservoir‐cap configuration conditions. It is suggested that these areas have good oil and gas exploration potential in GOM.
Low‐level lithium in drinking water and subsequent risk of dementia: Cohort study
Authors: Duthie Ashleigh C. , Hannah Jean , Batty G. David , Deary Ian J. , Starr John M. , Smith Daniel J. , Russ Tom C.
Published: February 2023

Background

Lithium, a mood stabilizer, is known to exhibit neuroprotective effects in animal models and may have anti‐dementia effects.

Aims

We used data from Scottish Mental Survey 1932, a population‐based cohort study, to investigate the association between lithium in drinking water and dementia rate in humans.

Method

Lithium levels in drinking water from 285 sampling sites across Scotland dating from 2014 were obtained from the sole public water provider (Scottish Water). Dementia and non dementia cases were identified from cohort data by electronic health records until 2012, and linked to postcode.

Results

The mean lithium level at all sampling sites was 1.45 μg/L (SD 1.83, range 0.5–18.2) and was 1.26 (SD 0.63, range 0.55–9.19) for sites matched to participant data. Of 37,597 study members, 3605 developed dementia until June 2012. Lithium levels were positively associated with the risk of dementia in women (highest in second quartile, HR 1.17, 95%CI 1.04–1.32), but there was no relationship in men (highest in second quartile, HR 0.95, 95% CI 0.81–1.12). The pattern of association was explored further by decile, and in females there was an association between lithium level and increased dementia risk compared to the lowest decile (0.55–0.68 μg/L) in all deciles except the highest, corresponding with lithium levels 0.68–2.1 μg/L.

Conclusions

Lithium levels in drinking water are very low across Scotland which limited detection of potential effect. Our results do not support an association between extremely low levels of lithium and later dementia risk. We found a trend to increased risk in females at lithium levels below but not above 2.1 μg/L.
Carrier recombination suppression and transport enhancement enable high‐performance self‐powered broadband Sb2Se3 photodetectors
Authors: Chen Shuo , Fu Yi , Ishaq Muhammad , Li Chuanhao , Ren Donglou , Su Zhenghua , Qiao Xvsheng , Fan Ping , Liang Guangxing , Tang Jiang
Published: February 2023

Antimony selenide (Sb2Se3) is a promising candidate for photodetector applications boasting unique material benefits and remarkable optoelectronic properties. Achieving high‐performance self‐powered Sb2Se3 photodetector through a synergistic regulation of absorber layer and heterojunction interface demonstrates great potential and needs essential investigation. In this study, an effective two‐step thermodynamic/kinetic deposition technique containing sputtered and selenized Sb precursor is implemented to induce self‐assembled growth of Sb2Se3 light absorbing thin film with large crystal grains and desirable [hk1] orientation, presenting considerable thin‐film photodetector performance. Furthermore, aluminum (Al3+) cation dopant is introduced to modify the optoelectronic properties of CdS buffer layer, and further optimize the Sb2Se3/CdS (Al) heterojunction interface quality. Thanks to the suppressed carrier recombination and enhanced carrier transport kinetics, the champion Mo/Sb2Se3/CdS (Al)/ITO/Ag photodetector exhibits self‐powered and broadband characteristics, accompanied by simultaneously high responsivity of 0.9 A W−1 (at 11 nW cm−2), linear dynamic range of 120 dB, impressive ON/OFF switching ratio over 106 and signal‐to‐noise ratio of 109, record total noise determined realistic detectivity of 4.78 × 1012 Jones, and ultra‐fast response speed with rise/decay time of 24/75 ns, representing the top level for Sb2Se3‐based photodetectors. This intriguing work opens up an avenue for its self‐powered broadband photodetector applications.
Minority stress, repetitive negative thinking, and internalizing symptoms in sexual minorites: Does cognitive content matter?
Authors: Pellicane Michael J. , Brewster Melanie E. , Ciesla Jeffrey A.
Published: February 2023

Background

The Psychological Mediation Framework theorizes that repetitive negative thinking (RNT) mediates the relationship between minority stress and mental health, and this theory has been consistently supported by previous research. Yet, it is unclear whether the process or content of RNT is more important in the development of internalizing symptoms in sexual minorities. Consequently, the goal of the current study was to use structural equation modeling to determine whether there are significant indirect effects of repetitive negative thought content in the relationship between minority stress and internalizing psychopathology.

Methods

Measures of RNT, internalizing symptoms, and proximal minority stress were completed online by 205 cisgender sexual minority adults. Structural equation modeling was used to examine indirect effects of proximal stress on internalizing symptoms through content‐independent RNT, depressive rumination, and sexual orientation‐related rumination.

Results

Significant direct effects of proximal minority stress on internalizing symptoms were observed. Indirect effects of proximal stress on internalizing symptoms were observed for content‐independent RNT and depressive rumination, but not sexual orientation‐related rumination.

Conclusions

The current study provides evidence that the process and affective valence of RNT contributes more to internalizing symptoms in sexual minorities when compared with sexual orientation‐related content. Theoretical and clinical implications are discussed.
The utility of limited Spanish proficiency in interpreted genetic counseling sessions
Authors: Waggoner Rebecca M. , Harkavy Nina , Way Lorraine , Florido Michelle E. , Sánchez Adriana , Bergner Amanda L.
Published: February 2023

Professional interpreters are an integral component of healthcare for Spanish‐speaking individuals with limited English proficiency (LEP). Research has demonstrated that errors in interpretation are common and can contribute to poor outcomes for Spanish‐speaking clients. Providers with some Spanish proficiency may be able to detect clinically significant interpretation errors, potentially limiting negative clinical outcomes and helping to reduce health disparities for clients with LEP. This study aimed to identify the level of Spanish proficiency necessary for genetic counselors to be able to detect a majority of clinically significant errors made by a professional interpreter during a reproductive genetic counseling session. Practicing genetic counselors and genetic counseling graduate students were surveyed regarding their Spanish language background, experience working with interpreters, and self‐rated Spanish proficiency. Participants then watched short video clips from three simulated reproductive genetic counseling sessions conducted with a professional interpreter and were tasked with identifying clinically significant interpretation errors. Survey responses were analyzed from 118 participants who met eligibility criteria. Participants who reported “basic” and “fair” Spanish proficiency detected an average of 36.5% and 67% of clinically significant errors, respectively. Those reporting “good” proficiency or higher detected more than 80% of errors. Overall self‐rated Spanish proficiency was positively correlated with years of Spanish language education and individual measures of speaking, listening, and reading proficiency, indicating that self‐report may be a reasonable measure of proficiency when the goal is error detection in an interpreted session. Genetic counselors with even minimal Spanish proficiency can detect clinically significant interpretation errors, allowing for the correction of these errors during the session. Genetic counselors with “basic” and “fair” may consider genetic counseling‐specific Spanish language classes to increase their proficiency to be able to detect a majority of interpretation errors and thereby improve the quality of care and reduce health disparities for Spanish‐speaking clients.
Measuring high‐risk parents' opinions about direct‐to‐consumer genetic testing for adult‐onset inherited cancer syndromes in their adolescent and young adult children
Authors: Hasser Emily , Peshkin Beth N. , Hamilton Jada G. , Brower Jamie , Ovadia Hannah , Friedman Ross Lainie , Sacca Rosalba , Tarini Beth , Domchek Susan M. , Vittone Sarah , Sleiman Marcelo , Isaacs Claudine , Knerr Sarah , Wilfond Benjamin S. , Tercyak Kenneth P.
Published: February 2023

Neither direct‐to‐consumer (DTC) genetic testing nor predictive genetic testing for adult‐onset conditions is recommended for minor children due to ethical concerns and low clinical utility. However, parents with pathogenic variants (PVs) in disease‐causing genes may be interested in pursuing genetic testing that includes the familial PV for their children. The Pediatric Testing Attitudes Scale (P‐TAS) was previously developed to examine high‐risk parents' opinions about pediatric BRCA genetic testing for adult‐onset breast/ovarian cancer. Here, the psychometric properties of the P‐TAS were examined in a new sample of N = 126 parents (M age = 47.2 years) with PVs in a more complete set of cancer risk genes represented on DTC panel tests. The mean score on the P‐TAS was 44 out of a maximum score of 60, indicating that a majority of parents generally held favorable opinions about testing their children for adult‐onset inherited cancer syndromes. The internal consistency of the full scale was high (α = 0.91). A factor analysis identified two‐component scales, labeled Attitudes and Beliefs (α = 0.93) and Decision Making and Communication (α = 0.83). In a multivariable regression model, P‐TAS co‐factors accounted for 34% of variance in parental opinions, including the frequency of prior family communication about cancer and the likelihood of utilizing DTC genetic testing with children (R2 = 0.34, p < 0.001). Results suggest that the P‐TAS remains a reliable measure to assess high‐risk parents' opinions about pediatric DTC genetic testing for adult‐onset conditions, with promising validity. Applications of the P‐TAS include informing genetic counseling practice, pediatric medical care, and policy guidelines surrounding DTC genetic testing.
Radial porosity profiles are a powerful tool for tracing locomotor maturation in developing limb bones
Authors: Prondvai Edina , Butler Richard J.
Published: February 2023

Radial porosity profiles (RPP) are a new quantitative osteohistological parameter designed to capture the dynamic changes in the primary porosity of limb bones through ontogeny, providing insights into skeletal growth and functional development of extant and extinct vertebrates. Previous work hypothesized that RPP channelization—the intraskeletal alignment of RPPs across different bones resulting from similar cortical compaction patterns—indicates increasing locomotor performance of the developing limbs. By investigating RPPs in ontogenetic series of pheasants, pigeons and ducks representing distinct locomotor developmental strategies, we test this hypothesis here and show that RPPs are indeed powerful osteohistological correlates of locomotor ontogeny. Qualitative and quantitative analyses reveal strong association between RPP channelization and fledging, the most drastic locomotor transition in the life history of volant birds. The channelization signal is less clear in precocial leg function; however, when additional intraskeletal and intercohort RPP characteristics are considered, patterns related to leg precocity can also be identified. Thus, we demonstrate that RPPs can be used in future by palaeobiologists to generate breakthroughs in the study of the ontogeny and evolution of flight in fossil birds and pterosaurs. With further baseline data collection from modern terrestrial vertebrates, RPPs could also test hypotheses regarding ontogenetic postural shifts in dinosaurs and other terrestrial archosaurs.