bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gas adsorption meets deep learning: voxelizing the potential energy surface of metal-organic frameworks
Authors: Sarikas Antonios P. , Gkagkas Konstantinos , Froudakis George E. 
Published: January 2024

AbstractIntrinsic properties of metal-organic frameworks (MOFs), such as their ultra porosity and high surface area, deem them promising solutions for problems involving gas adsorption. Nevertheless, due to their combinatorial nature, a huge number of structures is feasible which renders cumbersome the selection of the best candidates with traditional techniques. Recently, machine learning approaches have emerged as efficient tools to deal with this challenge, by allowing researchers to rapidly screen large databases of MOFs via predictive models. The performance of the latter is tightly tied to the mathematical representation of a material, thus necessitating the use of informative descriptors. In this work, a generalized framework to predict gaseous adsorption properties is presented, using as one and only descriptor the capstone of chemical information: the potential energy surface (PES). In order to be machine understandable, the PES is voxelized and subsequently a 3D convolutional neural network (CNN) is exploited to process this 3D energy image. As a proof of concept, the proposed pipeline is applied on predicting $${\hbox {CO}_{2}}$$

CO
2

uptake in MOFs. The resulting model outperforms a conventional model built with geometric descriptors and requires two orders of magnitude less training data to reach a given level of performance. Moreover, the transferability of the approach to different host-guest systems is demonstrated, examining $${\hbox {CH}_4}$$

CH
4

uptake in COFs. The generic character of the proposed methodology, inherited from the PES, renders it applicable to fields other than reticular chemistry.
Direct comparison of canine and human immune responses using transcriptomic and functional analyses
Authors: Chow Lyndah , Wheat William , Ramirez Dominique , Impastato Renata , Dow Steven 
Published: January 2024

AbstractThe canine spontaneous cancer model is increasingly utilized to evaluate new combined cancer immunotherapy approaches. While the major leukocyte subsets and phenotypes are closely related in dogs and humans, the functionality of T cells and antigen presenting cells in the two species has not been previously compared in detail. Such information would be important in interpreting immune response data and evaluating the potential toxicities of new cancer immunotherapies in dogs. To address this question, we used in vitro assays to compare the transcriptomic, cytokine, and proliferative responses of activated canine and human T cells, and also compared responses in activated macrophages. Transcriptomic analysis following T cell activation revealed shared expression of 515 significantly upregulated genes and 360 significantly downregulated immune genes. Pathway analysis identified 33 immune pathways shared between canine and human activated T cells, along with 34 immune pathways that were unique to each species. Activated human T cells exhibited a marked Th1 bias, whereas canine T cells were transcriptionally less active overall. Despite similar proliferative responses to activation, canine T cells produced significantly less IFN-γ than human T cells. Moreover, canine macrophages were significantly more responsive to activation by IFN-γ than human macrophages, as reflected by co-stimulatory molecule expression and TNF-α production. Thus, these studies revealed overall broad similarity in responses to immune activation between dogs and humans, but also uncovered important key quantitative and qualitative differences, particularly with respect to T cell responses, that should be considered in designing and evaluating cancer immunotherapy studies in dogs.
Multifunctional role of dietary copper to regulate stress-responsive gene for mitigation of multiple stresses in Pangasianodon hypophthalmus
Authors: Kumar Neeraj , Thorat Supriya Tukaram , Chavhan Samiksha R. 
Published: January 2024

AbstractIt is an urgent needs to address climate change and pollution in aquatic systems using suitable mitigation measures to avoid the aquatic animals' extinction. The vulnerability and extinction of the aquatic animals in the current scenario must be addressed to enhance safe fish food production. Taking into consideration of such issues in fisheries and aquaculture, an experiment was designed to mitigate high temperature (T) and low pH stress, as well as arsenic (As) pollution in fish using copper (Cu) containing diets. In the present investigation, the Cu-containing diets graded with 0, 4, 8, and 12 mg kg-1 were prepared and fed to Pangasianodon hypophthalmus reared under As, low pH, and high-temperature stress. The gene expression was highly affected in terms of the primary, secondary, and tertiary stress response, whereas supplementation of Cu-containing diet mitigates the stress response. Oxidative stress genes such as catalase (CAT), superoxide dismutase (SOD), and glutathione peroxidase (GPx) were significantly upregulated by stressors (As, As + T, and As + pH + T). Whereas, heat shock protein (HSP 70), inducible nitric oxide synthase (iNOS), metallothionine (MT), caspase 3a (Cas 3a), and cytochrome P450 (CYP 450) were highly upregulated by stressors, while dietary Cu at 8 mg kg-1 diet significantly downregulated these gene expressions. Indeed, the immunity-related genes viz. TNFα, Ig, TLR, and immune-related attributes viz. albumin, globulin, total protein, A:G ratio, blood glucose, NBT, and myeloperoxidase (MPO) were also improved with Cu-containing diets. Cu containing diets substantially improved neurotransmitter enzyme (AChE) and vitamin C (Vit C). DNA damage was also reduced with supplementation of Cu at 8 mg kg-1 diet. The growth index viz. final body weight gain (%), specific growth rate, protein efficiency ratio, food conversion ratio, relative feed intake, and daily growth index were noticeably enhanced by Cu diets (4 and 8 mg kg-1 diet). The growth-related genes expressions viz. growth hormone (GH), growth hormone regulator 1 (Ghr1), growth hormone regulator β (Ghrβ,) myostatin (MYST), and somatostatin (SMT) supported the growth enhancement with Cu at 8 mg kg-1 diet. The bioaccumulation of As was reduced with Cu-containing diets. The fish were infected with Aeromonas hydrophila at the end of the 105 days experimental trial. Cu at 8 mg kg-1 diet improved immunity, reduced the cumulative mortality, and enhanced the relative percentage survival of the fish. The results revealed that the innovative Cu diets could reduce the extinction of the fish against climate change and pollution era and produce the safest production that is safe to humans for consumption.
Potential impact on using aspirin as the primary prevention of adverse pregnancy outcomes in twins conceived using ART
Authors: Huang Dongni , Xie Yao , Duan Pingmei , Wang Jiaxin , Xu Jiacheng , Qi Hongbo , Luo Xin 
Published: January 2024

AbstractWith the development of assisted reproductive technology, the number of twin pregnancies is increasing year by year. Given the increased risk of pregnancy complications associated with twin pregnancies, and the fact that these babies are rare and difficult to obtain through assisted reproductive technology, clinicians urgently require finding effective and safe drugs to improve pregnancy outcomes. Low-dose aspirin can not only promote placental blood supply, but also effectively anti-inflammatory. Whether Low-dose aspirin can effectively reduce the risk of pregnancy complications in this special group needs to be clarified. We therefore retrospectively analyzed 665 twin pregnancies from assisted reproduction technology, grouped according to aspirin use, and followed pregnancy outcomes to assess bleeding risk. Low-dose aspirin was found to be effective in preventing preeclampsia without a significant risk of bleeding. However, aspirin does not prevent specific complication in twin pregnancies and seems to have a better preventive effect only when the mother is under 30, which should alarm clinicians should not blindly using aspirin in this particular group.
Prosaposin variants in sporadic, familial, and early-onset Parkinson's disease: a Taiwanese case–control study and meta-analysis
Authors: Kuo Ming-Che , Chu Yung-Tsai , Su Yu-An , Chen Meng-Ling , Wu Ruey-Meei 
Published: January 2024

AbstractPolymorphisms in the PSAP gene, which encodes prosaposin and is involved in the lysosomal function, yielded conflicting results regarding the association with Parkinson’s disease (PD). Therefore, this study aims to investigate the role of PSAP in familial PD (FPD), early onset PD (EOPD) with age at onset before 50 years old, and sporadic PD (SPD) among Taiwanese population, and summarize relevant studies via meta-analysis. By sequencing exon 1 to 14 in 183 FPD and 219 EOPD, two novel exonic variants were found in EOPD, including p.A146E (c.437C > A) on exon 5 and p.Y248C (c.743A > G) on exon 7. Furthermore, four previously reported intronic variants (rs142614739/rs74733861), rs749823, rs4747203 and rs885828) in intron 11 and 12 were analyzed in 485 SPD and 712 in-hospital controls, in addition to the aforementioned FPD and EOPD groups. The adjusted odd ratios (ORs) by age and sex, only rs142614739 was significantly associated with higher risk of EOPD (OR = 1.85, 95% CI = 1.33–2.58). The risk effect was further confirmed by the meta-analysis of the association between rs142614739 and the risk of PD in both common effect (OR = 1.29, 95% CI = 1.11–1.50) and random effect (OR = 1.29, 95% CI = 1.11–1.50). Our findings suggest that the PSAP rs142614739 variant is associated with the risk of EOPD. Further functional studies are warranted to elucidate the biochemical mechanisms.
A systematic review and meta-analysis of how social memory is studied
Authors: Cum Meghan , Santiago Pérez Jocelyn A. , Wangia Erika , Lopez Naeliz , Wright Elizabeth S. , Iwata Ryo L. , Li Albert , Chambers Amelia R. , Padilla-Coreano Nancy 
Published: January 2024

AbstractSocial recognition is crucial for survival in social species, and necessary for group living, selective reproduction, pair bonding, and dominance hierarchies. Mice and rats are the most commonly used animal models in social memory research, however current paradigms do not account for the complex social dynamics they exhibit in the wild. To assess the range of social memories being studied, we conducted a systematic analysis of neuroscience articles testing the social memory of mice and rats published within the past two decades and analyzed their methods. Our results show that despite these rodent’s rich social memory capabilities, the majority of social recognition papers explore short-term memories and short-term familiarity levels with minimal exposure between subject and familiar stimuli—a narrow type of social memory. We have identified several key areas currently understudied or underrepresented: kin relationships, mates, social ranks, sex variabilities, and the effects of aging. Additionally, reporting on social stimulus variables such as housing history, strain, and age, is limited, which may impede reproducibility. Overall, our data highlight large gaps in the diversity of social memories studied and the effects social variables have on social memory mechanisms.
Demonstration of Japanese radiographic examination codes in establishing typical values for a wide variety of general radiography examinations
Authors: Yagahara Ayako , Ando Daisuke , Oda Makoto 
Published: January 2024

AbstractThe purpose of this study was to demonstrate Japanese radiographic examination codes JJ1017 in establishing typical values for a wide variety of general radiography. About 200,000 sets of examination data were collected, including exposure conditions, JJ1017 code applied, examination room numbers and patient information. Typical values for adults, children, and infants were calculated from the collected data, and the following items were examined: comparing typical values of general radiography in Japan DRLs 2015 and typical values in a facility; comparison of typical values between X-ray equipment for examinations of DRLs 2015; comparison of typical values for different procedures at the same anatomical site; identification of examination items associated with high radiation doses. The total numbers of JJ1017 codes applicable to the examinations were 45,372 for adults, 542 for children, and 2339 for infants. To calculate the typical values and compare these with the DRLs, we used a combination of JJ1017 anatomical codes, posture codes, and direction of radiation codes. The combination of these codes allowed the calculation of a typical value and comparison with DRLs 2015. Comparison between devices reveals differences in radiation doses and provides an opportunity to review the characteristics of the devices and their operation to suggest dose reductions. By calculating typical values for examination items for which the DRLs were not available, we were able to identify examination items with high doses in a facility and suggest items that should be audited in the facility.
Enhanced prediction of bolt support drilling pressure using optimized Gaussian process regression
Authors: Liu Jie 
Published: January 2024

AbstractThis study introduces a novel method for predicting drilling pressure in bolt support systems by optimizing Gaussian process time series regression (GPR) using hybrid optimization algorithms. The research initially identified significant variations in prediction outcomes based on different kernel functions and historical points combinations in the GPR algorithm. To address this, we explored 160 distinct schemes combining 10 kernel functions and 16 historical points for numerical analysis. Applying three hybrid optimization algorithms—Genetic Algorithm-GPR (GA-GPR), Particle Swarm Optimization-GPR (PSO-GPR), and Ant Colony Algorithm-GPR (ACA-GPR)—we iteratively optimized these key parameters. The PSO-GPR algorithm emerged as the most effective, achieving an 80% prediction accuracy with a deviation range of 1–2 MPa, acceptable in practical drilling operations. This optimization led to the RQ kernel function with 18 historical points as the optimal combination, yielding an RMSE value of 0.0047246, in contrast to the least effective combination (E kernel function with 6 historical points) producing an RMSE of 0.035704. The final outcome of this study is a robust and efficient prediction system for underground bolt support drilling pressure, verified through practical application. This approach significantly enhances the accuracy and efficiency of support systems in geotechnical engineering, demonstrating the practical applicability of the PSO-GPR model in real-world scenarios.
The chronic wound milieu changes essential oils' antibiofilm activity—an in vitro and larval model study
Authors: Brożyna Malwina , Dudek Bartłomiej , Kozłowska Weronika , Malec Katarzyna , Paleczny Justyna , Detyna Jerzy , Fabianowska-Majewska Krystyna , Junka Adam 
Published: January 2024

AbstractEssential Oils (EOs) are currently being researched as potential antibiofilm agents to combat infections related to chronic wound biofilms. As documented in the literature, EOs’ in vitro antibacterial properties are often assessed using standard microbiological media and conditions that do not accurately reflect the actual environment of a chronic wound. To address this issue, In vitro Wound Milieu (IVWM) medium, which closely resembles the environment of a chronic wound, was applied for culturing S. aureus biofilms (n = 12) in this research. Biofilms cultivated in the standard Tryptic Soy Broth (TSB) medium served as a control for the experiment. Key biofilm features were analyzed and compared. Subsequently, staphylococci were exposed to the activity of thyme or rosemary EOs (T-EO and R-EO, respectively). As proof of concept, the cytotoxicity of T-EO and its antimicrobial in vivo activity were assessed using a G. mellonella larvae model. Key features of biofilm-forming cells were lower in the IVWM than in the TSB medium: biomass (up to 8 times), metabolic activity (up to 9 times), cell number (up to 100 times), and the live/dead cells ratio. Conversely, biofilm thickness was higher (up to 25%) in IVWM. These differences translated into varied responses of the biofilms to EOs exposure. The application of T-EO led to a greater reduction (up to 2 times) in 67% of biofilm-forming strains in IVWM compared to the TSB medium. Conversely, exposure to R-EO resulted in a higher reduction (up to 2.6 times) of 83% of biofilm-forming strains in TSB than in IVWM. The application of T-EO was not only non-toxic to G. mellonella larvae but also increased the survival of larvae infected with staphylococci (from 48 to 85%). Our findings suggest that EOs not only show promise as agents for treating biofilm-related wound infections but also that providing conditions reflecting the specific niche of the human body is of paramount importance in influencing the results obtained. However, before clinical application, challenges related to the methods of assessing their activity, microbial intra-species variability, and different levels of activity of various EOs should be analyzed and standardized.
Bursts of communication increase opinion diversity in the temporal Deffuant model
Authors: Zarei Fatemeh , Gandica Yerali , Rocha Luis E. C. 
Published: January 2024

AbstractHuman interactions create social networks forming the backbone of societies. Individuals adjust their opinions by exchanging information through social interactions. Two recurrent questions are whether social structures promote opinion polarisation or consensus and whether polarisation can be avoided, particularly on social media. In this paper, we hypothesise that not only network structure but also the timings of social interactions regulate the emergence of opinion clusters. We devise a temporal version of the Deffuant opinion model where pairwise social interactions follow temporal patterns. Individuals may self-organise into a multi-partisan society due to network clustering promoting the reinforcement of local opinions. Burstiness has a similar effect and is alone sufficient to refrain the population from consensus and polarisation by also promoting the reinforcement of local opinions. The diversity of opinions in socially clustered networks thus increases with burstiness, particularly, and counter-intuitively, when individuals have low tolerance and prefer to adjust to similar peers. The emergent opinion landscape is well-balanced regarding groups’ size, with relatively short differences between groups, and a small fraction of extremists. We argue that polarisation is more likely to emerge in social media than offline social networks because of the relatively low social clustering observed online, despite the observed online burstiness being sufficient to promote more diversity than would be expected offline. Increasing the variance of burst activation times, e.g. by being less active on social media, could be a venue to reduce polarisation. Furthermore, strengthening online social networks by increasing social redundancy, i.e. triangles, may also promote diversity.
The 6 month interim analysis of a randomized controlled trial assessing the quality of life in patients with breast cancer related lymphedema undergoing lymphaticovenous anastomosis vs. conservative therapy
Authors: Jonis Y. M. J. , Wolfs J. A. G. N. , Hummelink S. , Tielemans H. J. P. , Keuter X. H. A. , van Kuijk S. , Ulrich D. J. O. , van der Hulst R. R. W. J. , Qiu S. S. 
Published: January 2024

AbstractBreast cancer related lymphedema (BCRL) is a chronic condition with a detrimental impact on psychosocial and physical well-being. Lymphaticovenous anastomosis has shown promising results in alleviating physical symptoms and increasing quality of life in patients with BCRL. The aim of the study is to evaluate the effect on health related quality of life (HrQol) after LVA surgery versus conservative treatment in patients with BCRL. The study is a prospective, multicenter randomized controlled trial. Adult women with unilateral BCRL, with early stage lymphedema and viable lymphatic vessels were included. The primary outcome measure was HrQol measured by the lymphedema functioning disability and health (Lymph-ICF) questionnaire. The secondary outcomes were volume difference measured by the water displacement method; the Upper Extremity Lymphedema (UEL) index; and daily use of the compression garments after 3 and 6 months. For this interim analysis 46 patients per group were included. There was a significant improvement in the domains in physical and mental function in the Lymph-ICF questionnaire in the LVA group after 6 months, (− 16.46 ± 18.5, p < 0.05, − 10.12 ± 29.5, p < 0.05 respectively). However, there was no statistical difference in the total score of the Lymph-ICF after 6 months in both groups (LVA-group; − 8.57 ± 22.6, p > 0.05, CDT-group; − 2.65 ± 18.2, p < 0.05). Furthermore, there was no significant volume reduction in both groups (LVA-group: 20.04 ± 196.40, p = 0.497, CDT: 33.98 ± 189.87, p = 0.236). In the LVA group, 41% partially of completely stopped wearing the compression garments after six months whereas in the CDT group 0% discontinued to use of compression garments. LVA resulted in improvement of the domains physical and mental function of the Lymph-ICF. Limb volume did not significantly improve after 6 months. However, around 42% could completely or partially stopped with the use of compression garments in the LVA group. The current results are promising, however longer follow up is required to assess long term effect of LVA for secondary lymphedema. Clinical Trial Registration: NCT02790021 registered on 03/06/2016
Sex-specific impact of mild obesity on the prognosis of ST-segment elevation myocardial infarction
Authors: Zhang Lingling , Liu Zhican , Zhu Yunlong , Zeng Jianping , Huang Haobo , Yang Wenbin , Peng Ke , Wu Mingxin 
Published: January 2024

AbstractThis study aimed to clarify the existence of the mild obesity paradox in patients with ST-segment elevation myocardial infarction (STEMI) and assess the impact of mild obesity on the prognosis of STEMI. A retrospective cohort study was conducted on STEMI patients who underwent percutaneous coronary intervention at Xiangtan Central Hospital from January 1, 2020 to July 31, 2022. After excluding individuals with a body mass index (BMI) of no less than 35 kg/m2, subjects were divided into the mildly obese group (BMI, 30–35 kg/m2) and non-obese group (BMI < 30 kg/m2). The cardiovascular events and death were deemed the composite endpoints and were employed as the outcome event. The study recruited 664 patients with STEMI, including 515 males and 149 females. The mildly obese group of male patients exhibited a lower incidence of composite endpoints than the non-obese group (22.4% vs. 41.3%, P < 0.001). For female patients, no significant difference was observed in the incidence of composite endpoints between the two groups (43.6% vs. 43.8%, P = 0.987). After adjusting for confounding factors, the multivariable Cox regression analysis revealed mild obesity as an independent protective factor for male patients [hazard ratio (HR) 0.47; 95% confidence interval (CI) 0.32–0.69; P < 0.001]. Nevertheless, mild obesity was not associated with the prognosis of female patients (HR 0.96; 95% CI 0.47–1.94; P = 0.9). In male STEMI patients, mild obesity presented a paradoxical effect in improving the prognosis and functioned as an independent protective factor for the prognosis of STEMI. However, no association between mild obesity and prognosis was found in female patients, possibly due to distinct physiological and metabolic characteristics between male and female patients, which deserved further investigation and validation.