bluuebunny/crossref_metadata_2025 huggingface dataset:
Development of an invasion score based on metastasis-related pathway activity profiles for identifying invasive molecular subtypes of lung adenocarcinoma
Authors: Han Tao , Liu Yafeng , Zhou Jiawei , Guo Jianqiang , Xing Yingru , Xie Jun , Bai Ying , Wu Jing , Hu Dong
Published: January 2024

The invasive capacity of lung adenocarcinoma (LUAD) is an important factor influencing patients’ metastatic status and survival outcomes. However, there is still a lack of suitable biomarkers to evaluate tumor invasiveness. LUAD molecular subtypes were identified by unsupervised consistent clustering of LUAD. The differences in prognosis, tumor microenvironment (TME), and mutation were assessed among different subtypes. After that, the invasion-related gene score (IRGS) was constructed by genetic differential analysis, WGCNA analysis, and LASSO analysis, then we evaluated the relationship between IRGS and invasive characteristics, TME, and prognosis. The predictive ability of the IRGS was verified by in vitro experiments. Next, the “oncoPredict” R package and CMap were used to assess the potential value of IRGS in drug therapy. The results showed that LUAD was clustered into two molecular subtypes. And the C1 subtype exhibited a worse prognosis, higher stemness enrichment activity, less immune infiltration, and higher mutation frequency. Subsequently, IRGS developed based on molecular subtypes demonstrated a strong association with malignant characteristics such as invasive features, higher stemness scores, less immune infiltration, and worse survival. In vitro experiments showed that the higher IRGS LUAD cell had a stronger invasive capacity than the lower IRGS LUAD cell. Predictive analysis based on the “oncoPredict” R package showed that the high IRGS group was more sensitive to docetaxel, erlotinib, paclitaxel, and gefitinib. Among them, in vitro experiments verified the greater killing effect of paclitaxel on high IRGS cell lines. In addition, CMap showed that purvalanol-a, angiogenesis-inhibitor, and masitinib have potential therapeutic effects in the high IRGS group. In summary we identified and analyzed the molecular subtypes associated with the invasiveness of LUAD and developed IRGS that can efficiently predict the prognosis and invasive ability of the tumor. IRGS may be able to facilitate the precision treatment of LUAD to some extent.
Investigation, scaffold hopping of novel donepezil-based compounds as anti-Alzhiemer’s agents: synthesis, in-silico and pharmacological evaluations
Authors: Gupta Mohan , Pant Swati , Rana Preeti , Kumar Avinash , Prasun Chakrawarti , Nair Maya S. , Paliwal Sarvesh , Nain Sumitra
Published: January 2024

Alzheimer’s disease (AD) is a multifaceted neurodegenerative condition. The pathogenesis of AD is highly intricate and the disease is apparent in the aged population ~ 50–70 years old. Even after > 100 years of research, the root origin of AD and its pathogenesis is unclear, complex and multifaceted. Herein, we have designed and synthesized 9 novel molecules with three different heterocyclic scaffolds namely pyrrolidone-2-one, quinoline & indoline-2-one to imitate and explore the novel chemical space around donepezil. The synthesized molecules were evaluated for their potential as anti-Alzheimer’s agents through in-vitro and in-vivo studies in appropriate animal models. To further understand their interaction with acetylcholinesterase enzyme (AChE), extra-precision docking, and molecular dynamics simulation studies were carried out. As the number of compounds was limited to thoroughly explore the structure–activity relationship, atom-based 3D-quantitative structure–activity relationships (QSAR) studies were carried out to get more insights. All the designed compounds were found to inhibit AChE with IC50 in the micromolar range. From pyrrolidone-2-one series, 6-chloro-N-(1-(1-(3,4-dimethoxybenzyl)-2-oxopyrrolidin-3-yl)piperidin-4-yl)pyridine-3-sulfonamide (9), 2-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-4-(4-methoxyphenyl)quinoline (18) from quinoline series and N-(1-benzylpiperidin-4-yl)-2-(2-oxoindolin-3-yl)acetamide (23) from indolin-2-one series inhibited AChE with an IC50 value of 0.01 µM. Based on other biochemical studies like lipid peroxidation, reduced glutathione, superoxide dismutase, catalase, nitrite, and behavioural studies (Morris water maze), compound 9 was found to be a potent AChE inhibitor which can be further explored as a lead molecule to design more potent and effective anti-Alzheimer’s agents.
Deep learning strategies with CReToNeXt-YOLOv5 for advanced pig face emotion detection
Authors: Nie Lili , Li Bugao , Du Yihan , Jiao Fan , Song Xinyue , Liu Zhenyu
Published: January 2024

This study underscores the paramount importance of facial expressions in pigs, serving as a sophisticated mode of communication to gauge their emotions, physical well-being, and intentions. Given the inherent challenges in deciphering such expressions due to pigs' rudimentary facial muscle structure, we introduced an avant-garde pig facial expression recognition model named CReToNeXt-YOLOv5. The proposed model encompasses several refinements tailored for heightened accuracy and adeptness in detection. Primarily, the transition from the CIOU to the EIOU loss function optimized the training dynamics, leading to precision-driven regression outcomes. Furthermore, the incorporation of the Coordinate Attention mechanism accentuated the model's sensitivity to intricate expression features. A significant innovation was the integration of the CReToNeXt module, fortifying the model's prowess in discerning nuanced expressions. Efficacy trials revealed that CReToNeXt-YOLOv5 clinched a mean average precision (mAP) of 89.4%, marking a substantial enhancement by 6.7% relative to the foundational YOLOv5. Crucially, this advancement holds profound implications for animal welfare monitoring and research, as our findings underscore the model's capacity to revolutionize the accuracy of pig facial expression recognition, paving the way for more humane and informed livestock management practices.
Dataset meta-level and statistical features affect machine learning performance
Authors: Uddin Shahadat , Lu Haohui
Published: January 2024

What dataset features affect machine learning (ML) performance has primarily been unknown in the current literature. This study examines the impact of tabular datasets' different meta-level and statistical features on the performance of various ML algorithms. The three meta-level features this study considered are the dataset size, the number of attributes and the ratio between the positive (class 1) and negative (class 0) class instances. It considered four statistical features for each dataset: mean, standard deviation, skewness and kurtosis. After applying the required scaling, this study averaged (uniform and weighted) each dataset’s different attributes to quantify its four statistical features. We analysed 200 open-access tabular datasets from the Kaggle (147) and UCI Machine Learning Repository (53) and developed ML classification models (through classification implementation and hyperparameter tuning) for each dataset. Then, this study developed multiple regression models to explore the impact of dataset features on ML performance. We found that kurtosis has a statistically significant negative effect on the accuracy of the three non-tree-based ML algorithms of the Support vector machine (SVM), Logistic regression (LR) and K-nearest neighbour (KNN) for their classical implementation with both uniform and weighted aggregations. This study observed similar findings in most cases for ML implementations through hyperparameter tuning, except for SVM with weighted aggregation. Meta-level and statistical features barely show any statistically significant impact on the accuracy of the two tree-based ML algorithms (Decision tree and Random forest), except for implementation through hyperparameter tuning for the weighted aggregation. When we excluded some datasets based on the imbalanced statistics and a significantly higher contribution of one attribute compared to others to the classification performance, we found a significant effect of the meta-level ratio feature and statistical mean and standard deviation features on SVM, LR and KNN accuracy in many cases. Our findings open a new research direction in understanding how dataset characteristics affect ML performance and will help researchers select appropriate ML algorithms for a possible optimal accuracy outcome.
Transfer of magnetic anisotropy in epitaxial Co/NiO/Fe trilayers
Authors: Szpytma M. , Ślęzak M. , Janus W. , Nayyef H. , Ślęzak T. , Mandziak A. , Zając M. , Wilgocka-Ślęzak D. , Menteş T. O. , Jugovac M. , Locatelli A. , Kozioł-Rachwał A.
Published: January 2024

The magnetic properties of Co(10 Å)/NiO(40 Å)/Fe trilayer epitaxially grown on W(110) substrate were investigated with use of x-ray magnetic linear dichroism (XMLD) and x-ray magnetic circular dichroism (XMCD). We showed that magnetic anisotropy of Fe film that can be controlled by a thickness-driven spin reorientation transition is transferred via interfacial exchange coupling not only to NiO layer but further to ferromagnetic Co overlayer as well. Similarly, a temperature driven spin reorientation of Fe sublayer induces a reorientation of NiO spin orientation and simultaneous switching of the Co magnetization direction. Finally, by element specific XMCD and XMLD magnetic hysteresis loop measurements we proved that external magnetic field driven reorientation of Fe and Co magnetizations as well as NiO Néel vector are strictly correlated and magnetic anisotropy fields of Fe and Co sublayers are identical despite the different crystal structures.
Free light-shape focusing in extreme-ultraviolet radiation with self-evolutionary photon sieves
Authors: Cui Huaiyu , Zhang Xiuping , Li You , Zhao Dongdi , Zhang Junyong , Zhao Yongpeng
Published: January 2024

Extreme-ultraviolet (EUV) radiation is a promising tool, not only for probing microscopic activities but also for processing nanoscale structures and performing high-resolution imaging. In this study, we demonstrate an innovative method to generate free light-shape focusing with self-evolutionary photon sieves under a single-shot coherent EUV laser; this includes vortex focus shaping, array focusing, and structured-light shaping. The results demonstrate that self-evolutionary photon sieves, consisting of a large number of specific pinholes fabricated on a piece of Si3N4 membrane, are capable of freely regulating an EUV light field, for which high-performance focusing elements are extremely lacking, let alone free light-shape focusing. Our proposed versatile photon sieves are a key breakthrough in focusing technology in the EUV region and pave the way for high-resolution soft X-ray microscopy, spectroscopy in materials science, shorter lithography, and attosecond metrology in next-generation synchrotron radiation and free-electron lasers.
Ovipositional responses of tortricid moths to sugars, salts and neem oil
Authors: Amat Carles , Prasad Rajendra , Gemeno César
Published: January 2024

Oviposition is essential in the life history of insects and is mainly mediated by chemical and tactile cues present on the plant surface. Oviposition deterrents or stimulants can modify insect oviposition and be employed in pest control. Relatively few gustatory oviposition stimuli have been described for tortricid moths. In this study the effect of NaCl, KCl, sucrose, fructose and neem oil on the number of eggs laid by Cydia pomonella (L.), Grapholita molesta (Busck) and Lobesia botrana (Dennis & Schifermüller) was tested in laboratory arenas containing filter papers loaded with 3 doses of a given stimulus and solvent control. In general, salts increased oviposition at the mid dose (102 M) and sugars reduced it at the highest dose (103 mM), but these effects depended on the species. Neem oil dramatically reduced the number of eggs laid as the dose increased, but the lowest neem oil dose (0.1% v/v) increased L. botrana oviposition relative to solvent control. Our study shows that ubiquitous plant chemicals modify tortricid moth oviposition under laboratory conditions, and that neem oil is a strong oviposition deterrent. The oviposition arena developed in this study is a convenient tool to test the effect of tastants on the oviposition behavior of tortricid moths.
Development of an optogenetics tool, Opto-RANK, for control of osteoclast differentiation using blue light
Authors: Takada Aiko , Asano Toshifumi , Nakahama Ken-ichi , Ono Takashi , Nakata Takao , Ishii Tomohiro
Published: January 2024

Optogenetics enables precise regulation of intracellular signaling in target cells. However, the application of optogenetics to induce the differentiation of precursor cells and generate mature cells with specific functions has not yet been fully explored. Here, we focused on osteoclasts, which play an important role in bone remodeling, to develop a novel optogenetics tool, Opto-RANK, which can manipulate intracellular signals involved in osteoclast differentiation and maturation using blue light. We engineered Opto-RANK variants, Opto-RANKc and Opto-RANKm, and generated stable cell lines through retroviral transduction. Differentiation was induced by blue light, and various assays were conducted for functional analysis. Osteoclast precursor cells expressing Opto-RANK differentiated into multinucleated giant cells on light exposure and displayed upregulation of genes normally induced in differentiated osteoclasts. Furthermore, the differentiated cells exhibited bone-resorbing activities, with the possibility of spatial control of the resorption by targeted light illumination. These results suggested that Opto-RANK cells differentiated by light possess the features of osteoclasts, both morphological and functional. Thus, Opto-RANK should be useful for detailed spatiotemporal analysis of intracellular signaling during osteoclast differentiation and the development of new therapies for various bone diseases.
The application of synthetic antibacterial minerals to combat topical infections: exploring a mouse model of MRSA infection
Authors: Morrison Keith D. , Reiss Meghan B. , Tanner Tanya D. , Gollott Travis R. , Loots Gabriela G. , Collette Nicole M.
Published: January 2024

The development of new antibiotics has stalled, and novel strategies are needed as we enter the age of antibiotic resistance. Certain naturally occurring clays have been shown to be effective in killing antibiotic resistant bacteria. However, these natural clays are too variable to be used in clinical settings. Our study shows that synthetic antibacterial minerals exhibit potent antibacterial activity against topical MRSA infections and increase the rate of wound closure relative to controls. The antibacterial minerals maintain a redox cycle between Fe2+/Fe3+ and the surfaces of pyrite minerals, which act as a semiconductor and produce reactive oxygen species (ROS), while smectite minerals act as a cation exchange reservoir. Acidic conditions are maintained throughout the application of the hydrated minerals and can mitigate the alkaline pH conditions observed in chronic non-healing wounds. These results provide evidence for the strategy of ‘iron overload’ to combat antibiotic resistant infections through the maintained release of Fe2+ and generation of ROS via distinct geochemical reactions that can break the chronic wound damage cycle.
Detection of DNA methylation signatures through the lens of genomic imprinting
Authors: Hubert Jean-Noël , Iannuccelli Nathalie , Cabau Cédric , Jacomet Eva , Billon Yvon , Serre Rémy-Félix , Vandecasteele Céline , Donnadieu Cécile , Demars Julie
Published: January 2024

Genomic imprinting represents an original model of epigenetic regulation resulting in a parent-of-origin expression. Despite the critical role of imprinted genes in mammalian growth, metabolism and neuronal function, there is no molecular tool specifically targeting them for a systematic evaluation. We show here that enzymatic methyl-seq consistently outperforms the bisulfite-based standard in capturing 165 candidate regions for genomic imprinting in the pig. This highlights the potential for a turnkey, fully customizable and reliable capture tool of genomic regions regulated by cytosine methylation in any population of interest. For the field of genomic imprinting, it opens up the possibility of detecting multilocus imprinting variations across the genome, with implications for basic research, agrigenomics and clinical practice.
Phase-controlled coherent photons for the quantum correlations in a delayed-choice quantum eraser scheme
Authors: Ham Byoung S.
Published: January 2024

The delayed-choice quantum eraser has been intensively studied for the wave-particle duality of a single photon in an interferometric system over the last decades. Super-resolution has been studied over decades for quantum sensing to overcome the standard quantum limit. For the super-resolution, either quantum features of higher-order entangled photon pairs or classical features of phase-controlled coherent photons have been successfully demonstrated. Here, a method of classically excited super-resolution is presented for the phase-controlled coherent photons in a quarter-wave plate-modified quantum eraser scheme. To support the underlying physics of the super-resolution, nonlocal correlation is also presented with an additional frequency-polarization basis control via selective product-basis measurements.
Leveraging limited data from wildlife monitoring in a conflict affected region in Venezuela
Authors: Stachowicz Izabela , Ferrer-Paris José Rafael , Sánchez-Mercado Ada
Published: January 2024

Efficient monitoring of biodiversity-rich areas in conflict-affected areas with poor rule of law requires a combination of different analytical approaches to account for data biases and incompleteness. In the upland Amazon region of Venezuela, in Canaima National Park, we initiated biodiversity monitoring in 2015, but it was interrupted by the establishment of a large-scale mining development plan in 2016, compromising the temporal and geographical extent of monitoring and the security of researchers. We used a resource selection function model framework that considers imperfect detectability and supplemented detections from camera trap surveys with opportunistic off-camera records (including animal tracks and direct sighting) to (1) gain insight into the value of additional occurrence records to accurately predict wildlife resource use in the perturbated area (deforestation, fire, swidden agriculture, and human settlements vicinity), (2) when faced with security and budget constraints. Our approach maximized the use of available data and accounted for biases and data gaps. Adding data from poorly sampled areas had mixed results on estimates of resource use for restricted species, but improved predictions for widespread species. If budget or resources are limited, we recommend focusing on one location with both on-camera and off-camera records over two with cameras. Combining camera trap records with other field observations (28 mammals and 16 birds) allowed us to understand responses of 17 species to deforestation, 15 to fire, and 13 to swidden agriculture. Our study encourages the use of combinations of methods to support conservation in high-biodiversity sites, where access is restricted, researchers are vulnerable, and unequal sampling efforts exist.
“KAIZEN” method realizing implementation of deep-learning models for COVID-19 CT diagnosis in real world hospitals
Authors: Okada Naoki , Umemura Yutaka , Shi Shoi , Inoue Shusuke , Honda Shun , Matsuzawa Yohsuke , Hirano Yuichiro , Kikuyama Ayano , Yamakawa Miho , Gyobu Tomoko , Hosomi Naohiro , Minami Kensuke , Morita Natsushiro , Watanabe Atsushi , Yamasaki Hiroyuki , Fukaguchi Kiyomitsu , Maeyama Hiroki , Ito Kaori , Okamoto Ken , Harano Kouhei , Meguro Naohito , Unita Ryo , Koshiba Shinichi , Endo Takuro , Yamamoto Tomonori , Yamashita Tomoya , Shinba Toshikazu , Fujimi Satoshi
Published: January 2024

Numerous COVID-19 diagnostic imaging Artificial Intelligence (AI) studies exist. However, none of their models were of potential clinical use, primarily owing to methodological defects and the lack of implementation considerations for inference. In this study, all development processes of the deep-learning models are performed based on strict criteria of the “KAIZEN checklist”, which is proposed based on previous AI development guidelines to overcome the deficiencies mentioned above. We develop and evaluate two binary-classification deep-learning models to triage COVID-19: a slice model examining a Computed Tomography (CT) slice to find COVID-19 lesions; a series model examining a series of CT images to find an infected patient. We collected 2,400,200 CT slices from twelve emergency centers in Japan. Area Under Curve (AUC) and accuracy were calculated for classification performance. The inference time of the system that includes these two models were measured. For validation data, the slice and series models recognized COVID-19 with AUCs and accuracies of 0.989 and 0.982, 95.9% and 93.0% respectively. For test data, the models’ AUCs and accuracies were 0.958 and 0.953, 90.0% and 91.4% respectively. The average inference time per case was 2.83 s. Our deep-learning system realizes accuracy and inference speed high enough for practical use. The systems have already been implemented in four hospitals and eight are under progression. We released an application software and implementation code for free in a highly usable state to allow its use in Japan and globally.
Impact of glucose metabolism on PD-L1 expression in sorafenib-resistant hepatocellular carcinoma cells
Authors: Cho Sua , Kim Wonjin , Yoo Dayoung , Han Yeonju , Hwang Hyemin , Kim Seunghwan , Kim Jimin , Park Sanghee , Park Yusun , Jo HanHee , Pyun Jae-chul , Lee Misu
Published: January 2024

Hepatocellular carcinoma (HCC) is the fifth leading cause of cancer-related mortality worldwide. Programmed cell death ligand-1 (PD-L1) is an immune checkpoint protein that binds to programmed cell death-1 (PD-1), which is expressed in activated T cells and other immune cells and has been employed in cancer therapy, including HCC. Recently, PD-L1 overexpression has been documented in treatment-resistant cancer cells. Sorafenib is a multikinase inhibitor and the only FDA-approved treatment for advanced HCC. However, several patients exhibit resistance to sorafenib during treatment. This study aimed to assess the effect of glucose deprivation on PD-L1 expression in HCC cells. We used PD-L1-overexpressing HepG2 cells and IFN-γ-treated SK-Hep1 cells to explore the impact of glycolysis on PD-L1 expression. To validate the correlation between PD-L1 expression and glycolysis, we analyzed data from The Cancer Genome Atlas (TCGA) and used immunostaining for HCC tissue analysis. Furthermore, to modulate PD-L1 expression, we treated HepG2, SK-Hep1, and sorafenib-resistant SK-Hep1R cells with rapamycin. Here, we found that glucose deprivation reduced PD-L1 expression in HCC cells. Additionally, TCGA data and immunostaining analyses confirmed a positive correlation between the expression of hexokinase II (HK2), which plays a key role in glucose metabolism, and PD-L1. Notably, rapamycin treatment  decreased the expression of PD-L1 and HK2 in both high PD-L1-expressing HCC cells and sorafenib-resistant cells. Our results suggest that the modulation of PD-L1 expression by glucose deprivation may represent a strategy to overcome PD-L1 upregulation in patients with sorafenib-resistant HCC.
Application of electro oxidation process for treating wastewater from petrochemical with mixed metal oxide electrode
Authors: Mirshafiee Amir , Nourollahi Mohammad , Shahriary Alireza
Published: January 2024

Petrochemicals require a large volume of water for their operation, which results in the production of a large volume of wastewater. Treatment of petrochemical wastewater is an important process before discharging it into the environment. This research examines the treatment of real petrochemical wastewater using the electrochemical oxidation process. Direct anodic oxidation is an effective advanced electrochemical oxidation process (AEOP), with different electrodes using a parallel plate electrochemical reactor. Four types of real wastewater were received from different petrochemical units were treated by AEOP. Real wastewater samples with chemical oxygen demand (COD) concentrations ranging from 20,450 to 52,300 mg/l. The main goal of this research is to make electrodes of Mixed Metal Oxide (MMO), which can reduce the treatment time and electricity consumption for oxidation, greater stability of the surface of the electrodes. Investigation of the rate constant kinetics shows that high COD removal efficiency can be achieved following the pseudo-second order reaction rate (R2 > 98%). When the wastewater pH is less than 5, COD removal efficiency is higher and the treatment process will be successful, which succeeded in removing 79% COD, but in alkaline wastewater, COD reduction efficiency was not satisfactory. The electricity consumption for 79% removal during 6 min was 117 kWh/m3. As a result, due to the very short time of the process (6 min), it can be used as one of the pre-treatment steps of petrochemical wastewater with acidic pH.
Predicting CKD progression using time-series clustering and light gradient boosting machines
Authors: Saito Hirotaka , Yoshimura Hiroki , Tanaka Kenichi , Kimura Hiroshi , Watanabe Kimio , Tsubokura Masaharu , Ejiri Hiroki , Zhao Tianchen , Ozaki Akihiko , Kazama Sakumi , Shimabukuro Michio , Asahi Koichi , Watanabe Tsuyoshi , Kazama Junichiro J.
Published: January 2024

Predicting the transition of kidney function in chronic kidney disease is difficult as specific symptoms are lacking and often overlooked, and progress occurs due to complicating factors. In this study, we applied time-series cluster analysis and a light gradient boosting machine to predict the trajectories of kidney function in non-dialysis dependent chronic kidney disease patients with baseline estimated glomerular filtration rate (GFR) ≥ 45 mL/min/1.73 m2. Based on 5-year changes in estimated GFR, participants were stratified into groups with similar trajectories by cluster analysis. Next, we applied the light gradient boosting machine algorithm and Shapley addictive explanation to develop a prediction model for clusters and identify important parameters for prediction. Data from 780 participants were available for analysis. Participants were classified into five classes (Class 1: n = 78, mean [± standard deviation] estimated GFR 100 ± 19.3 mL/min/1.73 m2; Class 2: n = 176, 76.0 ± 9.3 mL/min/1.73 m2; Class 3: n = 191, 59.8 ± 5.9 mL/min/1.73 m2; Class 4: n = 261, 52.7 ± 4.6 mL/min/1.73 m2; and Class 5: n = 74, 53.5 ± 12.0 mL/min/1.73 m2). Declines in estimated GFR were 8.9% in Class 1, 12.2% in Class 2, 4.9% in Class 3, 12.0% in Class 4, and 45.1% in Class 5 during the 5-year period. The accuracy of prediction was 0.675, and the top three most important Shapley addictive explanation values were 1.61 for baseline estimated GFR, 0.12 for hemoglobin, and 0.11 for body mass index. The estimated GFR transition of patients with preserved chronic kidney disease mostly depended on baseline estimated GFR, and the borderline for estimated GFR trajectory was nearly 50 mL/min/1.73 m2.
Global species delimitation of the cosmopolitan marine littoral earthworm Pontodrilus litoralis (Grube, 1855)
Authors: Seesamut Teerapong , Oba Yuichi , Jirapatrasilp Parin , Martinsson Svante , Lindström Maria , Erséus Christer , Panha Somsak
Published: January 2024

The marine littoral earthworm Pontodrilus litoralis (Grube, 1855) is widely distributed and is reported as a single species. This study utilized an integrative taxonomic approach based upon morphological examination, phylogenetic reconstruction, and molecular species delimitation, to test whether the taxon is a single species or a species complex. For this, a total of 114 P. litoralis specimens collected from North America, Africa, Australia and Oceania, Europe and Asia were used. The phylogenetic analyses revealed deeply divergent mitochondrial lineages and a high level of genetic diversity among P. litoralis populations. Both single and multi-locus species delimitation analyses yielded several molecular operational taxonomic units. Therefore, due to the homogeneity of morphological characteristics, it is likely that the morphospecies P. litoralis is a complex of four or more cryptic species, suggesting that more sampling is required and that the population structure genetic data and gene flow need to be investigated.
Extremely thin intermetallic layer in dissimilar AA6061-T6 and mild steel friction stir lap welding using a hemispherical tool
Authors: Ambrosio Danilo , Morisada Yoshiaki , Ushioda Kohsaku , Fujii Hidetoshi
Published: January 2024

The dissimilar friction stir lap welding of AA6061-T6 and mild steel using the hemispherical tool tilted towards the retreating side is investigated. Critical defects such as hook features and internal voids are avoided by limiting the plunge depth in the lower plate to a tenth of a millimeter. The low heat generation guaranteed by the hemispherical tool produces a nanoscale intermetallic compound layer alternatively composed of an Al-rich and a ternary Al–Fe–Mg phases. The complex and extremely thin interlayers strengthen the Al–Fe mechanical bonding, guaranteeing high mechanical properties and rupture within the Al-stirred zone. Thermomechanical phenomena governing friction stir lap welding with the hemispherical tool drastically limit the growth of intermetallics, leading to the high mechanical strength of the lap joint.
Heterogeneous integration of high-k complex-oxide gate dielectrics on wide band-gap high-electron-mobility transistors
Authors: Ji Jongho , Yang Jeong Yong , Lee Sangho , Kim Seokgi , Yeom Min Jae , Lee Gyuhyung , Shin Heechang , Bae Sang-Hoon , Ahn Jong-Hyun , Kim Sungkyu , Kim Jeehwan , Yoo Geonwook , Kum Hyun S.
Published: January 2024

Heterogeneous integration of dissimilar crystalline materials has recently attracted considerable attention due to its potential for high-performance multifunctional electronic and photonic devices. The conventional method for fabricating heterostructures is by heteroepitaxy, in which epitaxy is performed on crystallographically different materials. However, epitaxial limitations in monolithic growth of dissimilar materials prevent implementation of high quality heterostructures, such as complex-oxides on conventional semiconductor platforms (Si, III-V and III-N). In this work, we demonstrate gallium nitride (GaN) high-electron-mobility transistors with crystalline complex-oxide material enabled by heterogeneous integration through epitaxial lift-off and direct stacking. We successfully integrate high-κ complex-oxide SrTiO3 in freestanding membrane form with GaN heterostructure via a simple transfer process as the gate oxide. The fabricated device shows steep subthreshold swing close to the Boltzmann limit, along with negligible hysteresis and low dynamic on-resistance, indicating very low defect density between the SrTiO3 gate oxide and GaN heterostructure. Our results show that heterogeneous integration through direct material stacking is a promising route towards fabricating functional heterostructures not possible by conventional epitaxy.
Maximising the benefits of calcium carbonate in sustainable cements: opportunities and challenges associated with alkaline waste carbonation
Authors: Jin Fei , Zhao Mingshan , Xu Maochun , Mo Liwu
Published: January 2024

Cement production significantly contributes to global climate change and implementation of carbon capture, utilisation and storage (CCUS) in construction materials is considered a crucial step toward achieving net-zero emissions. Substituting Portland cement (PC) clinker with limestone has been demonstrated to effectively reduce CO2 emissions while enhancing the properties of cement and concrete. Beyond limestone extraction, quarrying, and crushing, various types of alkaline waste materials generated from industrial processes can serve as valuable resources for producing diverse forms of calcium carbonate, simultaneously capturing a substantial amount of CO2. In this context, we contend that due to the distinct characteristics of various calcium carbonate forms, there exists the substantial potential to maximise their technical, economic, and environmental advantages in the production of sustainable cements. We reviewed existing studies of the effects of different calcium carbonate forms on cement properties and underscored the viability of utilising various alkaline wastes to produce different calcium carbonate products. As a promising approach for CO2 reduction, waste management, and resource recovery, we addressed the opportunities and challenges associated with advancing CCUS through the utilisation of carbonated alkaline wastes in sustainable cements. To achieve real-world impacts, we emphasised the necessity for interdisciplinary research collaborations, active involvement from industry stakeholders, regulatory bodies, and governmental support to facilitate the large-scale adoption of these innovative practices.
A theoretical study on the second-order nonlinear optical properties of Pt(ii) bis-acetylide complexes: substituent and redox effects
Authors: Sun Liting , Wang Yingying , Zhao Yuanyuan , Qiu Yongqing
Published: January 2024

The introduction of a single –NO2 group in acetylide ligands increases the βtot of a complex 12 times, while one electron loss in five complexes enhances the βtot 496 times at the most.
Nature or number of species in a transition state: the key role of catalytically active molecules in hydrogen transfer stages in atmospheric aldehyde reactions
Authors: Tuguldurova Vera P. , Kotov Andrey V. , Vodyankina Olga V. , Fateev Alexander V.
Published: January 2024

For the first time, the two factors (the number of sites in the transition state and the nature of the catalytically active species) that affect the energy barriers (Ea and ΔG‡) in atmospheric aldehyde reactions are proposed.
The counteracting influence of 2-hydroxypropyl substitution and the presence of a guest molecule on the shape and size of the β-cyclodextrin cavity
Authors: Sandilya Avilasha A. , Priya M. Hamsa
Published: January 2024

The 2-hydroxypropyl substitution of the β-cyclodextrin enhances the aqueous solubility but it distorts the inner cavity, however, the inclusion of a guest molecule in the cavity counteracts the structural deformation.
Comparison of core and valence band electronic structures of bulk uracil and 5-halouracils
Authors: Izumi Yudai , Ohara Maki , Baba Yuji , Yokoya Akinari
Published: January 2024

The halogenation of uracil changed the photoemission spectra in the C 1s and valence band regions.
Energy renormalization for temperature transferable coarse-graining of silicone polymer
Authors: Zhang Dawei , Wang Yang , Safaripour Maryam , Bellido-Aguilar Daniel A. , Van Donselaar Kurt R. , Webster Dean C. , Croll Andrew B. , Xia Wenjie
Published: January 2024

A temperature transferrable coarse-grained (CG) model of a silicone polymer has been developed to capture the thermomechanical behaviors using the energy-renormalization (ER) approach.
A combined experimental and computational approach to unravel degradation mechanisms in electrochemical wastewater treatment
Authors: Feijoo Sara , Baluchová Simona , Kamali Mohammadreza , Buijnsters Josephus G. , Dewil Raf
Published: January 2024

Understanding electrochemical oxidation mechanisms through a combined experimental and computational approach.
A review of the functional activities of chia seed and the mechanisms of action related to molecular targets
Authors: Chen Jinghui , Wu Gangcheng , Zhu Ling , Karrar Emad , Zhang Hui
Published: January 2024

Chia seeds regulate glucose, fat metabolism and alleviate inflammation by up- or down-regulating key gene targets in MAPK, AMPK, TGF-β, PPAR-γ, NF-κB, and IRS mediated insulin signaling pathways. However, some mechanisms of action are still unknown and require speculation and research.
A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
Authors: Geng Yanxue , Sun Weijun , Zhang Weixu , Li Mengyao , Wang Guo , Wang Jianchun
Published: January 2024

A series of 6-oxo-3-(1,2,4,5-substituted-1H-imidazol-3-ium-3-yl)-3,6-dihydro-1,2,4,5-tetrazin-3-ides was synthesized by the reaction of 3,6-dichloro-s-tetrazine with a variety of substituted imidazoles in the presence of trace water in solvents.
Unveiling transient current response in bilayer oxide-based physical reservoirs for time-series data analysis
Authors: Lai Bo-Ru , Chen Kuan-Ting , Chaurasiya Rajneesh , You Song-Xian , Hsu Wen-Dung , Chen Jen-Sue
Published: January 2024

The proposed memristive device showcases nonlinear current responses and short-term memory behaviors, perfectly functioning as a physical reservoir with the capability to segregate 4-bit input signals and diverse temporal patterns.
A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties
Authors: Xiang Huixin , Cheng Ranran , Ruan Chenhao , Meng Changqing , Gan Yuzheng , Cheng Wanyu , Zhao Yue , Xu Cong-Qiao , Li Jun , Yao Chuanhao
Published: January 2024

A homologous series of macrocyclic Nin(4MPT)2n clusters is prepared for the first time. Their geometric structures, electronic structures, optical and catalytic properties are studied.
Self-assembly of single-chain nanoparticles from block copolymers into inverse bicontinuous structures
Authors: Sun Yalan , Deng Zichao , Chen Aihua
Published: January 2024

Single-chain nanoparticles preferentially self-assemble into cubosomes with a broad window by intrachain cross-linking the hydrophilic chains of block copolymers, which accounts for the smaller a0 and the larger P.
Evaluation of the dispersion properties of graphene oxide/cetyltrimethylammonium bromide for application in nanocomposite materials
Authors: Sánchez-Cepeda Angela , Cedeño E. , Marín E. , Pazos M. Carolina , Ingrid Silva-Cote , Muñoz Efrén de Jesús , Vera-Graziano Ricardo
Published: January 2024

The properties of thermal diffusivity and Z potential of the GONPs/CTAB nanofluid were studied as a function of GO concentration (in the range between 4 and 12% w/v), temperature (35 and 50 °C) and time (30 and 60 min) under ultrasound.
Graphitized mango seed as an effective 3D anode in batch and continuous mode microbial fuel cells for sustainable wastewater treatment and power generation
Authors: Barakat Nasser A. M. , Gamal Shimaa , Ghouri Zafar Khan , Fadali Olfat A. , Abdelraheem Omnia H. , Hashem Mohamed , Moustafa Hager M.
Published: January 2024

Herein, we explored the utilization of graphitized mango seeds as 3D-packed anodes in microbial fuel cells (MFCs) powered by sewage wastewater.
Catalytic hydrolysis of carbonyl sulfide in blast furnace gas over Sm-Ce-Ox@ZrO2 catalyst
Authors: Yu Jintao , Lu Yao , Wang Sheng , Xu Mutao , Jin Qijie , Zhu Chengzhang , Chen Jisai , Xu Haitao
Published: January 2024

Carbonyl sulfur (COS) is a prominent organic sulfur pollutant commonly found in the by-product gas generated by the steel industry.
Exploring optoelectronic and photocatalytic properties of X2AgBiY6 (X = NH4, PH4, AsH4, SbH4 and Y = Cl, Br): a DFT study
Authors: Mohsin Ali Sardar , Saeed M. Usman , Elansary Hosam O. , Saeed Y.
Published: January 2024

Ab initio calculations have been used to investigate lead-free double-perovskites (DPs) X2AgBiY6 (X = NH4, PH4, AsH4, SbH4 and Y = Cl, Br) for solar-cell-based energy sources.
Influence of oxygen content on selective laser melting leading to the formation of spheroidization in additive manufacturing technology
Authors: Chen Jibing , She Yong , Du Xinyu , Liu Yanfeng , Yang Yang , Yang Junsheng
Published: January 2024

Selective laser melting (SLM) additive manufacturing technology with different oxygen contents leads to the appearance of spherical solids of different sizes on the surface of the part, which affects the mechanical properties of the part, surface roughness, etc.
Diethylenetriamine-functionalized reduced graphene oxide having more amino groups for methylene blue removal
Authors: Wang Chubei , Zhou Jianwei , Chu Liangliang , Zhang Mingliang , Xu Chao , Liu Jingwen , Li Shijie
Published: January 2024

A new aminated graphene was prepared through a substitution reaction between chlorine-functionalized reduced graphene oxide and diethylenetriamine to produce high-performance amino-functionalized graphene for methylene blue removal.
A chemical–mechanical coupling effect induced by charge distribution engineering yields a long-lived phosphorus anode for lithium-ion batteries
Authors: Kong Weiqiang , Li Wenruo , Yu Wenhao , Zhu Haoyuan , Xu Shaofeng , Liu Shun , Cui Liying , Wen Zhongsheng
Published: January 2024

CoPPc in a tandem organic/inorganic heterojunction is endowed with the function of electron giving and shunting, which synergically integrates the mechanical and chemical coupling function.
First-principles investigation of the structural stability, electronic, and thermodynamic properties of Ba2NaHaO6 (Ha = Cl, Br, I) periodate double perovskites
Authors: Rehman Zia Ur , Lin Zijing
Published: January 2024

Ba2NaHaO6 (Ha = Cl, Br, I) are thermodynamically stable, with Ba2NaIO6 being the most stable. They are direct band gap semiconductors, and can serve as a functional layer in solar cells or optoelectronic devices.
Synthesis of spinel (Mg0.2Co0.2Ni0.2Cu0.2Zn0.2)Fe2O4 in seconds for lithium-ion battery anodes
Authors: Ren Ruiqi , Wu Dixian , Zhang Jingyuan , You Xiangyu , Xu Zikang , Yang Jinyao , Ren Hang , Zhu Guoyin , Zhang Yizhou , Dong Shengyang
Published: January 2024

A spinel high-entropy oxide was synthesized in 5 seconds with conversion and alloying hybrid reaction kinetics for Li-ion storage.
Insights into Li+ storage mechanisms, kinetics, and reversibility of defect-engineered and functionalized multi-walled carbon nanotubes for enhanced energy storage
Authors: Kong Lingping , Zhu Yuntong , Williams P. Jason , Kabbani Mohamad , Brushett Fikile R. , Rupp Jennifer L. M.
Published: January 2024

Defect engineering and chemical functionalization of MWCNTs have boosted Li+ storage capacity and enhanced Li+ diffusivity, advancing the development of high-energy and high-power LIBs.
Controllable synthesis of flower-like hierarchical porous TiO2 at room temperature and its affinity application
Authors: Xu Jinhua , Zhang Wenmin , Chen Hui , Ding Qingqing , Xie Shiye , Zhang Lan
Published: January 2024

Controllable synthesis of flower-like hierarchical porous TiO2 at room temperature as an appealing probe for food safety monitoring and early disease diagnosis.
Spectroscopic characterization of carbon monoxide activation by neutral chromium carbides
Authors: Wang Tiantong , Zhang Zhaoyan , Jiang Shuai , Yan Wenhui , Li Shangdong , Zhuang Jianxing , Xie Hua , Li Gang , Jiang Ling
Published: January 2024

A size-specific infrared-vacuum ultraviolet spectroscopic study of the reactions between carbon monoxide with chromium carbides reveals a semi-bridging CO, which is highly activated through the Cr–C–C three-center two-electron interaction.
Facile synthesis of cyclic RAFT agents and ring expansion radical polymerization of vinyl monomers having cyclic topology
Authors: Ito Hiroki , Oto Kota , Takasu Akinori , Higuchi Masahiro
Published: January 2024

We describe the synthesis of cyclic vinyl polymers by ring-expansion radical polymerization using a cyclic RAFT agent, which is prepared by bimolecular ring-closing esterification of succinic acid and bis{4-[ethyl-(2-hydroxyethyl)carbamoyl]benzyl} trithiocarbonate.
Psychedelics for mental health: a biochemical perspective
Authors: González-Maeso Javier
Published: January 2024

Psychedelics, such as psilocybin, mescaline and lysergic acid diethylamide (LSD), are psychoactive substances that induce alterations in cognition, perception and sensory processing. Studies in rodent models and healthy human volunteers highlight the serotonin 5-HT2A receptor’s pivotal role in mediating hallucinogenic effects. More recent findings indicate that psychedelics induce lasting effects on neuroplasticity in preclinical models and are currently undergoing testing for their potential therapeutic effects on psychiatric conditions, including depression and anxiety. Critical questions persist, such as the necessity of the ‘trip’ for therapeutic benefits or the obstacles in establishing valid placebo groups in psychedelic studies. Despite challenges, this information supports the therapeutic potential of psychedelic compounds in addressing mental disorders. However, more direct and mechanistic based preclinical studies are required to assess the extent to which this association is causal.
Breathing and Speech Adaptation: Do Speakers Adapt Toward a Confederate Talking Under Physical Effort?
Authors: Offrede Tom , Mooshammer Christine , Fuchs Susanne
Published: January 2024

Purpose:

This study investigated whether speakers adapt their breathing and speech (fundamental frequency [
f
o
]) to a prerecorded confederate who is sitting or moving under different levels of physical effort and who is either speaking or not. Following Paccalin and Jeannerod (2000), we would expect breathing rate to change in the direction of the confederate's, even if the participant is physically inactive. This might in turn affect their speech acoustics.

Method:

We recorded the speech and respiration of 22 native German speakers. They produced solo and synchronous read speech in interaction with a confederate who appeared on a prerecorded video. There were three within-subject experimental conditions: the confederate (a) sitting, (b) biking with light effort, or (c) biking with heavier effort.

Results:

During speech, the confederate's inhalation amplitude and
f
o
increased with physical effort, as expected. Her breath cycle duration changed differently, probably because of read speech constraints. Overall, the only adaptation the participants showed was higher
f
o
with increase in the confederate's physical effort during synchronous, but not solo, speech.

Additionally, they produced shallower inhalations when observing the confederate biking in silence, as compared to the condition without movement. Crucially, the participants' acoustic and breathing data showed large interindividual variability.

Conclusions:

Our findings indicate that, in this paradigm, convergence only took place on
f
o
during synchronous speech and that this phonetic adaptation happened independently from any speech breathing adaptation. It also suggests that participants may adapt their quiet breathing while watching a person performing physical exercise but that the mechanism is more complex than that explained previously.