bluuebunny/crossref_metadata_2025_split huggingface dataset:
In silico molecular docking and dynamic simulation of antimalarial compounds from Barleria buxifolia root against type III phosphatidylinositol-4-kinase β: Metabolite Profile Analysis Using LC-MS/HRMS
Authors: Abisek A , Poovarasan R , Sathish T , Tamizharasan G , Khute Sulekha , Srinivasa Kareti , A Rajesh , Subash P. 
Published: January 2024

Abstract

A member of the Acanthaceae family, Barleria buxifolia Linn (B. buxifolia) is a shrub of medium size. It originated on the Indian peninsula. Even though the plant is widely used in traditional medicine to treat malaria, no studies have been conducted on this species for antimalarial activity. Box-Behnken design (BBD) modeling was used to optimize the percentage of extraction from the dried root of B. buxifolia. The study aims to use high-resolution liquid chromatography-mass spectrometry (LC-MS/HRMS) to discover plant-based components in root extracts of B. buxifolia. The observed chromatogram showed the presence of 13 phytoconstituents. For the first time, these phytoconstituents are identified in B. buxifolia roots. These phytoconstituents were assessed for their anti-malarial potential against the malaria targets of phosphatidylinositol-4-kinase III β (protein data bank ID: 4D0L, 4WAE) using AutoDock Vina-PyRx software. The anti-malarial potential was compared to known inhibitors of artemisinin and MMV390048. One compound was identified and compared with the standard artemisinin, which showed the best docking score and was further confirmed through in silico SwissADME, admetSAR web server, LigPlot analysis, and MD simulation, i.e., 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine. This in silico research plays a crucial role in antimalarial drug discovery, and this research will benefit medicinal chemists by enhancing their understanding and utilization of this phytoconstituents for antimalarial activity.
The DNA double-strand break repair proteins γH2AX, RAD51, BRCA1, RPA70, KU80, and XRCC4 show follicle-specific expression differences in the postnatal mouse ovaries from early to older ages
Authors: Talibova Gunel , Bilmez Yesim , Tire Betul , Ozturk Saffet 
Published: January 2024

Abstract
Ovarian aging is closely related to a decrease in follicular reserve and oocyte quality. The underlying molecular causes of these changes have not been fully explored. Herein, we examine spatiotemporal distribution of key proteins responsible for DNA double-strand break (DSB) repair from early to older ovaries. Functional studies have shown that the γH2AX, RAD51, BRCA1, and RPA70 proteins play indispensable roles in HR-based repair pathway, while the KU80 and XRCC4 proteins are essential for successfully operating cNHEJ pathway. As expected, β-GAL levels increased progressively from prepuberty to aged groups (P < 0.05). Interestingly, we observed significant changes in γH2AX levels of the preantral and antral follicles (P < 0.05), and cCASP3 levels increased in the aged groups (P < 0.05). While RAD51, BRCA1, KU80, and XRCC4 protein levels increased (P < 0.05), the protein level of RPA70 decreased in the aged groups (P < 0.05) compared to the remaining groups. These changes mainly resulted from altered expression in oocytes and granulosa cells of the follicles and other ovarian cells. All these results suggest that DSBs in ovarian cells during aging are rapidly repaired by activating the HR and cNHEJ pathways. Meanwhile, unrepaired ovarian cells seem to be removed through apoptosis or undergo cellular senescence.
Targeting z-Crystallin by aspirin restores the sensitivity to cisplatin in resistant A2780 ovarian cancer cells
Authors: Lulli Matteo , Roviello Giandomenico , Catalano Martina , Parenti Astrid , Molli Alice , Napoli Cristina , Landini Ida , Schiavone Nicola , Lapucci Andrea 
Published: January 2024

Abstract
Purpose Ovarian cancer is the deadliest gynaecologic malignancies worldwide. Platinum based chemotherapy is the mainstay treatment for ovarian cancer; however, frequent recurrence and chemoresistance onset in patients with advanced diseases remain a therapeutic challenge. Although mechanisms underlying the development of chemoresistance are still ambiguous, the B-cell lymphoma-2 (Bcl-2) family is closely associated with chemoresistance in ovarian cancer. We previously disclosed that Zeta-Crystallin (CryZ) is a post-transcriptional regulator of Bcl-2 gene expression, by binding to bcl-2 mRNA and increasing its half-life. Here, we investigated the role of CryZ as a novel therapeutic target in ovarian carcinoma by modulating the protein activity with acetylsalicylic acid (ASA) to restore chemosensitivity.Methods Inhibition of CryZ binding activity to Bcl-2 and Bcl-xl mRNA targets by ASA was evaluated in A375 cells. Cytotoxicity assays were conducted in A2780S and A2780R ovarian cancer cells to evaluate if CryZ binding activity inhibition and CryZ silencing were able to reverse cisplatin resistance.Results ASA inhibits the binding of CryZ to Bcl-2 and Bcl-xl mRNAs. Furthermore, ASA-treatment or CryZ silencing are able to increase and restore the chemosensitivity in both sensitive and resistant A2780 ovarian cancer cell lines, respectively. ​Conclusion In this research article we demonstrated that the pharmacological or genetic inhibition of CryZ restores the sensitivity to cisplatin in a model of sensitive or resistant ovarian cancer cells. These findings suggest a new gene-targeted chemotherapeutic approach to restore the cytotoxicity in drug-resistant ovarian cancers and increase the sensitivity in non-resistant cells.
Association between sarcopenia and parity in American women in the National Health and Nutrition Examination Surveys (NHANES) 2011 to 2018
Authors: Hou Xuefeng , Chen Dong , Shen Yuchen , Jiang Jian , Xu Kangjie , Dai Bin 
Published: January 2024

Abstract
Background
Muscle atrophy is a condition characterized by a decrease in muscle mass, and it is more common in women compared to men. Currently, there is limited research on the relationship between parity (number of pregnancies) and muscle atrophy. This study aims to investigate the association between parity and muscle loss in a population of Americans.
Materials and Methods
We collected clinical data from 3,530 participants in the National Health and Nutrition Examination Survey (NHANES) conducted between 2011 and 2018. Dose-response analyses using restricted quadratic spline models were employed to assess the association between parity and muscle atrophy in the study sample. Propensity Score Matching (PSM) was used to balance confounding variables between the muscle atrophy group and the non-muscle atrophy group.
Results
Among the 3,530 participants, 330 (9.3%) were diagnosed with muscle atrophy. Our study revealed that factors such as older age, Mexican American, low education level, marital status, poverty, physical inactivity, and higher parity were associated with muscle loss. The dose-response analyses using restricted quadratic spline models showed a positive correlation between parity and muscle atrophy in all patients, with an increased risk of muscle atrophy with higher parity. Additionally, the Propensity Score Matching analysis still demonstrated a positive association between parity and muscle atrophy after adjusting for other confounding variables.
Conclusion
Our study suggests that higher parity is associated with an increased risk of muscle atrophy in postmenopausal American women. Regular exercise may be effective in reducing the risk of muscle atrophy.
Identification of m6A-Regulated Ferroptosis Biomarkers for Prognosis in Laryngeal Cancer
Authors: Wang Xin , Zhang Wen , Liang Kun , Wang Yujuan , Zhang Jin , Qiu Xiaoping , Wang Jinping , Li An , Shangguan Jian , Yun Yonggang , Wang Yixuan , Liu Hiu , Sun Yanan 
Published: January 2024

Abstract
Background
N6-methyladenosine (m6A) RNA methylation and ferroptosis are associated with laryngeal cancer (LC) development. Accordingly, further research on related molecular mechanisms and pathology of LC is necessary.
Methods
Weighted gene co-expression network analysis (WGCNA) and correlation analysis were used to identify differentially expressed m6A-related ferroptosis genes (DE-MRFG) in LC. Univariate Cox and least absolute shrinkage and selection operator (LASSO) regression were utilized for feature selection and risk model construction. Then, a nomogram was built based on the independent prognostic factor identified using univariate and multivariate Cox regression. Mutation analysis, immune-related analysis, and drug sensitivity prediction were applied to analyze the utility of the risk model as much as possible. Additionally, qRT-PCR and western blot were performed to detect the TFRC, RGS4, and FTH1 expression.
Results
We identified 83 genes as DE-MRFG in LC. Three model genes (TFRC, RGS4, and FTH1) were identified to build a risk model using the univariate Cox and LASSO regression algorithms. Receiver operating characteristic (ROC) analysis verified the accuracy of the risk model. Furthermore, calibration curves and ROC analysis indicated the good performance of the nomogram in predicting overall survival (OS). Moreover, the mutation analysis indicated that multiple genes were mutated in the high- and low-risk groups. Based on the analysis of the immune reaction in LC, immune checkpoint PD-L1 was significantly related to the risk score and was up-regulated in the high-risk group. Tumor Immune Dysfunction and Exclusion (TIDE) and Estimation of STromal and Immune cells in MAlignant Tumors using the Expression data (ESTIMATE) algorithm showed a positive relationship between risk score and TIDE or ESTIMATE score. Furthermore, drug sensitivity prediction found that 19 chemotherapy drugs were strongly correlated with a risk score. TFRC, RGS4, and FTH1 exhibited high expression levels in 30 laryngeal carcinoma tissues and cell lines (TU212, TU686, and AMC-HN-8). Notably, TFRC and FTH1 expression levels were significantly associated with patient prognosis.
Conclusion
Three prognostic genes, TFRC, RGS4, and FTH1, were identified as m6A-regulated ferroptosis biomarkers in LC, providing insights into LC treatment and prognosis.
Correlation between serum osteocalcin and different blood glucose markers in patients with type 2 diabetes
Authors: Pan Ye , Han Qing , Yuan Yuexing , An Li , Han Jing , Hu Lin , Liu Yan , Ma Chenlin , Zhang Mengqi , Chen Jinfeng , Wang Yao 
Published: January 2024

Abstract

A large number of clinical and animal studies have demonstrated that osteocalcin (OC) secreted by osteoblasts plays an important role in glucose metabolism. The purpose of this study was to further investigate the correlation between OC and different blood glucose markers in patients with type 2 diabetes.A total of 480 patients were divided into male group(n = 258) and postmenopausal female group(n = 258). OC, Glycated hemoglobin (HbA1c), Glycated albumin (GA) and 1,5-anhydroglucitol (1,5-AG) were measured. The correlation between serum osteocalcin level and different blood glucose markers were analyzed by Spearman correlation analysis and multiple linear regression. Spearman correlation analysis showed that in the male group, the OC level was negatively correlated with HbA1c (r=-0.252, p < 0.001) and GA (r = 0.158, p = 0.011), but positively correlated with 1, 5-AG (r = 0.204, p < 0.001). Similarly, in the postmenopausal female group, the OC level was found to have a negative relation with HbA1c (r=-0.286, p < 0.001) and GA (r=-0.160, p = 0.017), and a positive relation with 1, 5-AG (r = 0.329, p < 0.001). Different models were used to adjust for confounding factors. According to multiple stepwise regression analysis results, OC was an independent factor affecting the HbA1c and 1, 5-AG levels in both the male group and the postmenopausal female group. Serum osteocalcin was correlated with glycemic function in type 2 diabetes mellitus, and could be taken as an independent factor affecting not only long-term blood glucose but also short-term blood glucose, especially the postprandial hyperglycemia state.
Free fatty acid receptors beyond fatty acids: a computational journey to explore food-related peptides as possible binders of GPR120
Authors: Pedroni Lorenzo , Perugino Florinda , Magnaghi Fabio , Dall’Asta Chiara , Galaverna Gianni , Dellafiora Luca 
Published: January 2024

Abstract
The activity of a G protein coupled free fatty acid receptor, namely GPR120, is associated with obesity, satiety, diabetes, and taste perception, with interesting implications from a food functionality standpoint. Apart from long chain fatty acids, which are GPR120 natural agonists, other molecules were identified as agonists expanding the chemical space of GPR120’s ligands. In this scenario, we unveiled foodrelated peptides as possible GPR120 binders. A narrow filtering based on chemical similarity with known GPR120 agonists of a virtual library collecting 531441 low-polar hexapeptides was followed by molecular docking, dynamics and umbrella sampling simulations, identifying G[I,L]FGGG as promising GPR120 agonists. Their presence in food-related proteins was assessed along with simulations on their D-amino acids substituted counterparts. Overall, we obtained a predictive model to better understand the underpinning mechanism of GPR120-hexapeptides interaction, hierarchizing novel potential agonist peptides and described promising food sources and peptide derivatives worth of further dedicated investigations.
Time-division multiplexing underwater light communication using two identical green quantum well diodes
Authors: LIU PENGZHAN , WANG LINNING , QI ZIQIAN , LIANG YINGZE , JIANG YUAN , Wang Yongjin 
Published: January 2024

Abstract

A quantum well (QW) diode that is capable of emitting light is also capable of absorbing light. In particular, the QW diode has broad electroluminescence and responsivity spectra and thus, a distinct spectral overlap exists, enabling the establishment of light communication using two identical QW diodes, namely, one as the transmitter and the other as the receiver. Here, we demonstrate a time-division multiplexing (TDM) wireless light communication using two identical green QW diodes that are defined by software as transmitter or receiver to achieve real-time underwater data transmission via the same optical channel. To further exploit this dual emission-detection characteristics, we unite energy conservation, gravitational field and energy diagram theory to arrive the conclusion that the gravitational field may play a key role in the irreversibility between light emission and detection of the QW diode.
Racial/Ethnic Disparities in HRQOL and Associated Risk Factors in Colorectal Cancer Survivors:
Authors: Han Claire , Tounkara Fode , Kalady Mathew , Noonan Anne , Paskett Electra , Von Ah Diane 
Published: January 2024

Abstract
Purpose. The purpose of this study was to understand how health-related quality of life (HRQoL) differs by race/ethnicity among colorectal cancer (CRC) survivors. We aimed to 1) examine racial and ethnic differences in HRQoL; and 2) determine the potential risk factors for HRQoL (including social determinants of health [SDOH] and three primary cancer health measures: pain, health risk behaviors, and comorbidities) differ by racial/ethnic groups of CRC survivors.
Methods. A total of 2,492 adult CRC survivors were analyzed using Behavioral Risk Factor Surveillance System (BRFSS) survey data. HRQOL was dichotomized into “better” and “poor.” Multivariate logistic regressions were employed.
Results. Compared with non-Hispanic Whites (NHW), non-Hispanic Blacks (NHB) were more likely to experience worse HRQoL (OR = 0.19, p = .021). Notably, compared with NHW, NHB and Hispanics exhibited a greater prevalence of poor SDOH, increased pain, poor physical activity, current smoking, and greater comorbidities. Key risk factors for worse HRQoL, especially among NHB and Hispanics, were low education levels, poor physical activity, high pain, and more comorbidities. Younger age (18-64 years) and unemployment were common risk factors for worse HRQoL across all racial/ethnic groups. The associations were strongest in NHB for age (OR= 0.41, vs. 65 or older age group) and in Hispanics for employment status (OR= 2.41, vs. unemployed/retired) for better HRQoL when controlling for covariates. Conclusion.These findings highlight the need for culturally tailored self-management interventions, specifically for modifiable targets, such as lifestyle, pain, and comorbidities, to address the disparities in HRQOL among different racial/ethnic groups.
LGBTQ+ Youth Identity Disclosure Processes: A Systematic Review
Authors: Mousavi Mohammad , Chong Norman , Earnshaw Valerie A. , Layland Eric K. 
Published: January 2024

Abstract
Objective: Disclosure is a complex social process that can have a profound impact on LGBTQ+ youth wellbeing. Disclosure involves decision-making, interpersonal events, mediating processes, and psychosocial outcomes, but there is no review that considers disclosure as a developmental, multi-component process across contexts for LGBTQ+ youth. Guided by the disclosure process model, LGBTQ+ youth disclosure literature was systematically reviewed and synthesized.
Methods: After screening 5,433 articles, 29 studies were identified that investigated identity-disclosure processes among LGBTQ+ youth (aged 26 or younger). Included articles were reviewed for disclosure process components, individual and contextual factors that shape disclosure, and bias.
Results: Studies examining the disclosure decision making process focused more on avoidance goals (e.g., fear of rejection, LGBTQ+ stigma) than approach goals (e.g., find belonging, authenticity) for disclosure. Reactions to disclosures were most often mixed, with initial reactions characterized as negative and then becoming more positive over time. Mental health is the most studied outcome of disclosure. Additionally, disclosure processes appear to be shaped by disclosure recipients, social context, and cultural beliefs.
Conclusions: Research on LGBTQ+ youth disclosure is accelerating and increasingly examines disclosure goals and disclosure outcomes. LGBTQ+ youth identity disclosure is a complex, developmental process that extends over time and across multiple contexts. Future research should include study of disclosure content, longitudinal change, and dyadic processes.
Trace element fractionation in magnetite as a function of Fe depletion from ore fluids at the Baijian Fe-(Co) skarn deposit, eastern China: Implications for Co mineralization in Fe skarns
Authors: Wen Guang , Li Jian-Wei , Hofstra Albert H. , Harlov Daniel E. , Zhao Xin-Fu , Lowers Heather A. , Koenig Alan E. 
Published: January 2024

Abstract
Magnetite is common in various magmatic and hydrothermal ore deposit types, and its trace element geochemistry has become increasingly used in ore genesis studies and mineral exploration. While fractional crystallization has been shown to influence the chemistry of igneous magnetite, the extent to which this process regulates the trace element composition of hydrothermal magnetite remains poorly understood. In this study, we analyzed trace elements in hydrothermal magnetite from the Baijian Fe-(Co) skarn deposit in eastern China and used Rayleigh and equilibrium fractionation modeling to demonstrate the importance of magnetite precipitation in controlling fluid and magnetite chemistry during Fe skarn mineralization.
The Baijian Fe-(Co) skarn deposit has three stages of magnetite. From early Mag-1 to later Mag-2 and Mag-3, the concentrations of compatible elements (Ni and V) decrease, whereas those of incompatible elements (Zn, Mn, and Co) increase. There are obvious trends of increasing incompatible/compatible element ratios (e.g., Co/Ni, Zn/V, and Zn/Ni) and decreasing compatible/incompatible element ratios (e.g., V/Mn, Ni/Mn, and V/Co) from Mag-1 to Mag-3, with strong correlations between each of these ratios. Such systematic trace element variations in successive stages of magnetite can be best explained by increasing degrees of fractional crystallization with time. The wide range of incompatible/compatible element ratios (spanning 2–4 orders of magnitude) in Mag-2 and Mag-3 suggests that magnetite crystallization follows a process akin to Rayleigh fractionation.
Results from this study highlight the significant role that magnetite crystallization during skarn formation has on the trace element chemistry of this mineral. Moreover, as the crystallization of magnetite progresses, the Co/Fe ratio of residual hydrothermal fluids is elevated, which favors the precipitation of Co in late-stage sulfides. This process helps to explain why some Fe skarn deposits, as well as magnetite-rich iron oxide-apatite and iron oxide-copper-gold deposits, are potentially important economic sources for Co, currently necessary as one component in Li-ion batteries.
Development of an adsorption-enhanced heterogeneous Fenton process for abatement of natural organic matter by kaolin-supported phytogenic nanoscale zero-valent iron
Authors: Moyo Welldone , Chakachaka Vimbainashe M. , Fito Jemal , Gorimbo Joshua , Muleja Adolph A. , Nkambule Thabo T. I. 
Published: January 2024

Abstract

Natural organic matter (NOM) serves as a precursor for the formation of carcinogenic disinfection by-products when not adequately removed by conventional water treatment processes. The degradation of NOM by heterogeneous Fenton processes is particularly attractive because it results in prospects of zero sludge discharge. This work reports on NOM degradation and adsorption via the heterogeneous Fenton process using phytogenic zero-valent iron nanoparticles (nZVI) synthesised from green tea extract (Camellia sinensis) and supported on kaolin (fK-nZVI). The synthesised material was characterised using scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR) and Brunauer-Emmett-Teller (BET) analysis. Morphological analysis of SEM images and BET values revealed an increase in the surface area from 11.64 m2 · g−1 for kaolin to 27.07 m2 · g−1 for the kaolin-supported nZVI (K-nZVI), thus presenting an ideal modification for effective adsorption. Fenton process parameters were optimised, that is, H2O2 concentration (5 mM) and pH (4.5). At equilibrium, the adsorption by the fK-nZVI system was 0.127 mg · g−1, a value higher than reported in other adsorption systems at equivalent adsorbent dosage and NOM concentration. The promising results obtained in this study indicate heterogeneous Fenton degradation and adsorption can be a viable and effective method for NOM removal from aqueous media.