bluuebunny/crossref_metadata_2025_split huggingface dataset:
Network pharmacology combined with molecular docking and in vitro verification reveals the therapeutic potential of Delphinium roylei munz constituents on breast carcinoma
Authors: Mir Wajahat Rashid , Bhat Basharat Ahmad , Kumar Ashish , Dhiman Rohan , Alkhanani Mustfa , Almilaibary Abdullah , Dar Mohd Younis , Ganie Showkat Ahmad , Mir Manzoor Ahmad 
Published: September 2023

Delphinium roylei Munz is an indigenous medicinal plant to India where its activity against cancer has not been previously investigated, and its specific interactions of bioactive compounds with vulnerable breast cancer drug targets remain largely unknown. Therefore, in the current study, we aimed to evaluate the anti-breast cancer activity of different extracts of D. roylei against breast cancer and deciphering the molecular mechanism by Network Pharmacology combined with Molecular Docking and in vitro verification. The experimental plant was extracted with various organic solvents according to their polarity index. Phytocompounds were identified by High resolution-liquid chromatography-mass spectrometry (HR-LC/MS) technique, and SwissADME programme evaluated their physicochemical properties. Next, target(s) associated with the obtained bioactives or breast cancer-related targets were retrieved by public databases, and the Venn diagram selected the overlapping targets. The networks between overlapping targets and bioactive were visualized, constructed, and analyzed by STRING programme and Cytoscape software. Finally, we implemented a molecular docking test (MDT) using AutoDock Vina to explore key target(s) and compound(s). HR-LC/MS detected hundreds of phytocompounds, and few were accepted by Lipinski’s rules after virtual screening and therefore classified as drug-like compounds (DLCs). A total of 464 potential target genes were attained for the nine quantitative phytocompounds and using Gene Cards, OMIM and DisGeNET platforms, 12063 disease targets linked to breast cancer were retrieved. With Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathway enrichment, a total of 20 signalling pathways were manifested, and a hub signalling pathway (PI3K-Akt signalling pathway), a key target (Akt1), and a key compound (8-Hydroxycoumarin) were selected among the 20 signalling pathways via molecular docking studies. The molecular docking investigation revealed that among the nine phytoconstituents, 8-hydroxycoumarin showed the best binding energy (−9.2 kcal/mol) with the Akt1 breast cancer target. 8-hydroxycoumarin followed all the ADME property prediction using SwissADME, and 100 nanoseconds (ns) MD simulations of 8-hydroxycoumarin complexes with Akt1 were found to be stable. Furthermore, D. roylei extracts also showed significant antioxidant and anticancer activity through in vitro studies. Our findings indicated for the first time that D. roylei extracts could be used in the treatment of BC.
Anesthetic drug concentrations and placental transfer rate in fetus between term and preterm infants, twins, and singletons
Authors: Liu Hao , Miao Jing-Kun , Cai Meng , Gan Lin , Zhao Hui-Qing , Lei Xiao-Feng , Yu Jin 
Published: September 2023

Objective: This study aims to determine the drug concentration of etomidate, remifentanil, and rocuronium bromide for general anesthesia in fetus as well as the placental transport rate between term and preterm delivery, twins, and singleton.Study design: Sixty parturients with 72 fetuses undergoing cesarean section under general anesthesia were included. According to whether the fetus was a twin or premature, parturients were divided into Group I (term singleton), Group II (premature singleton), Group III (term twins), and Group IV (premature twins). The preoperative demographic characteristics and laboratory examination of parturients, hemodynamic indicators, the Apgar score of neonates at 1, 5, and 10 min after delivery and at specific assigned values, umbilical artery blood gas analysis results, neonatal weight, and resuscitative measures were recorded. Anesthetic drug concentrations in maternal arterial (MA), umbilical arterial (UA), and umbilical venous (UV) blood were detected by Ultra Performance Liquid Chromatography Tandem Mass Spectrometry (UPLC-MS/MS).Result: No significant differences were observed in the concentrations of etomidate, remifentanil, and rocuronium bromide in MA, UV, and UA blood, or in the UV/MA and UA/UV ratios between term and preterm infants, twins, and singletons. Moreover, there was no variation in the anesthetic drug concentration among each pair of twins. Additionally, no correlation was found between the neonatal weight and the plasma concentrations of anesthetic drugs in UV and UA blood, except for remifentanil in UA blood.Conclusion: Preterm or twin deliveries do not affect the neonatal concentration of etomidate, remifentanil, and rocuronium bromide used in general anesthesia for cesarean sections.Clinical Trial Registration:www.chictr.org.cn, identifier ChiCTR2100046547
Repressive and vigilant coping styles in stress and relaxation: evidence for physiological and subjective differences at baseline, but not for differential stress or relaxation responses
Authors: Exner Anna , Kampa Miriam , Finke Johannes B. , Stalder Tobias , Klapperich Holger , Hassenzahl Marc , Kleinke Kristian , Klucken Tim 
Published: September 2023

IntroductionPrevious research suggested differential stress reactivity depending on individuals’ coping style, e.g., as classified by the model of coping modes. Specifically, stronger physiological reactivity and weaker subjective stress ratings were found for repressors than for sensitizers. However, it remains to be investigated (i) whether these findings, which are largely based on social stress induction protocols, also generalize to other stressors, (ii) whether repressors vs. sensitizers also exhibit differential stress recovery following the application of a relaxation method, and (iii) which stress reactivity and recovery patterns are seen for the two remaining coping styles, i.e., fluctuating, and non-defensive copers. The current study thus examines stress reactivity in physiology and subjective ratings to a non-social stressor and the subsequent ability to relax for the four coping groups of repressors, sensitizers, fluctuating, and non-defensive copers.MethodsA total of 96 healthy participants took part in a stress induction (Mannheim Multicomponent Stress Test) and a subsequent relaxation intervention. Subjective ratings of stress and relaxation, heart rate (HR), heart rate variability (HRV), and blood pressure were assessed during the experiment. HR and blood pressure are markers of the sympathetic stress response that can be regulated by relaxation, while HRV should increase with relaxation. To investigate long-term relaxation effects, subjective ratings were also assessed on the evening of testing.ResultsDespite successful stress induction, no differential responses (baseline to stress, stress to relaxation) were observed between the different coping groups on any of the measures. In contrast, a strong baseline effect was observed that persisted throughout the experiment: In general, fluctuating copers showed lower HR and higher HRV than non-defensive copers, whereas repressors reported lower subjective stress levels and higher levels of relaxation during all study phases. No differences in subjective ratings were observed in the evening of testing.ConclusionContrary to previous research, no differential stress reactivity pattern was observed between coping groups, which could be due to the non-social type of stressor employed in this study. The novel finding of physiological baseline differences between fluctuating and non-defensive individuals is of interest and should be further investigated in other stressor types in future research.
Modafinil’s effects on cognition and sleep quality in affectively-stable patients with bipolar disorder: a pilot study
Authors: Lipschitz Jessica M. , Perez-Rodriguez Mercedes , Majd Marzieh , Larsen Emmett , Locascio Joseph , Pike Chelsea K. , Shanahan Megan , Burdick Katherine E. 
Published: September 2023

IntroductionDespite advances in the treatment of bipolar disorder (BD), most patients do not achieve complete inter-episode recovery and functional disability is common. During periods of relative remission, many patients continue to experience neurocognitive dysfunction, reduced daytime activity levels, and sleep disturbances. This 8-week, randomized, placebo-controlled pilot study evaluated the feasibility, safety and preliminary efficacy of the wake-promoting drug, modafinil (Provigil®), on neurocognitive functioning, daytime sleepiness, and sleep quality in affectively-stable BD patients.MethodsTwelve individuals with affectively-stable BD were recruited and randomized to a flexible dose of modafinil (100 to 200 mg/day) or placebo, adjunctive to a therapeutic dose of a mood stabilizer. Weekly in-person visits tracked sleep quality and daytime sleepiness as well as side effects and mood symptoms. Neurocognitive functioning was assessed at baseline, week 4, and week 8.ResultsNo serious adverse events were reported. Newly emergent side effects in the modafinil group included heart palpitations, itching, fatigue, and decreased energy. Two patients discontinued modafinil owing to side effects and one of these patients withdrew from the study. One patient discontinued placebo and was withdrawn from the study. Preliminary evaluations of clinical efficacy showed a marginally significant interaction between treatment group and time in two cognitive domains (speed of processing and verbal learning), indicating greater improvement in the modafinil group versus placebo. Additionally, there was a marginally significant effect of treatment group on daytime sleepiness, suggesting lower daytime sleepiness in the modafinil group versus placebo. Counterintuitively, we found a significant treatment group by time interaction effect on sleep quality, suggesting greater improvement in sleep quality in the placebo group versus the modafinil group.DiscussionResults suggest that modafinil is a relatively safe medication for affectively-stable BD patients when given with adjunctive mood stabilizers. Results are suggestive of cognitive benefit and improved daytime sleepiness, but worse sleep quality in those patients prescribed modafinil. A fully powered clinical trial is warranted with specific attention to the characteristics of patients who are most likely to benefit from treatment with modafinil and other methodological lessons learned from this pilot.Clinical trial registrationClinicalTrials.gov, identifier NCT01965925.
The relevance of integrated reporting in future standard setting of the International Sustainability Standards Board
Authors: van Wyk Milan , Els Gideon 
Published: September 2023

IntroductionSustainability reporting has become increasingly important to stakeholders, and therefore, there is a growing need for a global set of standards for sustainability reporting. The International Sustainability Standards Board (ISSB) has recently published new sustainability standards under the International Financial Reporting Standards (IFRS) Foundation. The consolidation of integrated reporting &lt;IR&gt; into the IFRS Foundation creates the problem of whether there is still a need for &lt;IR&gt; principles in the future of sustainability reporting and how these principles will be applied in the standard setting of the ISSB in future. This study provides insights into the similarities and differences between the &lt;IR&gt; Framework and the ISSB's draft IFRS S1 standard and clarifies the role that &lt;IR&gt; could play in the future of sustainability reporting within the context of the newly issued IFRS S1 standard.MethodsThe study uses thematic content analysis on the two frameworks and comment letters submitted to the ISSB as part of the standard-setting process to understand the relevance of integrated reporting in sustainability reporting and to identify important principles contained within &lt;IR&gt; that can contribute to the ISSB standard-setting process in future.ResultsThe study identified that there is a largely positive sentiment toward &lt;IR&gt; in developing sustainability standards within the IFRS Foundation. The study also identified important aspects where &lt;IR&gt; can play a significant role in standard development, such as the connectivity of information, integrated thinking, and the six capitals that can assist organizations in understanding the significant sustainability-related risks and opportunities.ConclusionThe research points out pertinent sustainability principles that could be useful for the ISSB in future standard settings. Furthermore, the research adds to the existing literature on &lt;IR&gt; and can act as an impetus for further research on the use of &lt;IR&gt; principles in the standard-setting processes of the ISSB.
Inhalation of electronic cigarettes slightly affects lung function and inflammation in mice
Authors: Dai Yuxing , Duan Kun , Huang Guangye , Yang Xuemin , Jiang Xingtao , Chen Jianwen , Liu Peiqing 
Published: September 2023

Electronic cigarettes have become increasingly popular, but the results of previous studies on electronic cigarette exposure in animals have been equivocal. This study aimed to evaluate the effects of electronic cigarette smoke (ECS) and cigarette smoke (CS) on lung function and pulmonary inflammation in mice to investigate whether electronic cigarettes are safer when compared to cigarettes. 32 specific pathogen-free BALB/c male mice were randomly grouped and exposed to fresh air (control), mint-flavored ECS (ECS1, 6 mg/kg), cheese-flavored ECS (ECS2, 6 mg/kg), and CS (6 mg/kg). After 3 weeks exposure to ECS or CS, we measured lung function (PIF and Penh) and blood oxygen saturation. The levels of TNF-α and IL-6 in the bronchoalveolar lavage fluid (BALF) and serum were measured using ELISA. HE staining was performed to observe the pathological changes in the lung tissues. The levels of IL-6 in BALF and serum, and TNF-α in BALF, were elevated similarly in the ECS and CS groups compared to the control group. Significant elevation was observed in serum TNF-α levels in the CS group. The total count of cells in BALF were increased after ECS1 exposure and CS exposure. PIF and oxygen saturation decreased, and Penh increased markedly in the CS group but not in the ECS groups. Compared with the ECS groups, mice in the CS group had widened lung tissue septa and increased inflammatory cell infiltration. However, we did not detect significant differences between mint-flavored and cheese-flavored e-cigarettes in our study. Overall, our findings suggested that both ECS and CS impair lung function and histopathology while promoting inflammation. In contrast, ECS has a less negative impact than CS.
Passive Surveillance of SARS-CoV-2 in Adult Blacklegged Ticks (Ixodes scapularis) from Northeast Pennsylvania
Authors: Hunt Erin A. , Schwartz Sarah , Chinnici Nicole 
Published: September 2023

Monitoring the spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in wildlife is vital to public health. White-tailed deer (Odocoileus virginianus) in the United States have tested positive for SARS-CoV-2, and their interactions with blacklegged ticks (Ixodes scapularis) raise the question of whether or not these ticks also carry SARS-CoV-2. In this study, 449 blacklegged ticks from Northeast Pennsylvania were collected in the fall of 2022 and tested via RT-qPCR for the presence of SARS-CoV-2. Fourteen ticks were amplified with late quantification cycles (Cq) using primers from two nucleocapsid genes (N1 and N2) via TaqMan assays. Three of these samples were amplified on a SYBR green assay during secondary testing. However, melt curve and gel electrophoresis analysis verified negative results for these three samples. Genetic sequencing was performed on one of the three samples to look for potential cross-reactions causing the amplification observed. However, no significant match was found in the NCBI database. Although all 449 blacklegged ticks were negative for SARS-CoV-2, I. scapularis should continue to be tested for COVID-19. If blacklegged ticks test positive for COVID-19 in the future, research should focus on determining the stability of SARS-CoV-2 with the tick vector and the potential for transmission through tick bites.
Evaluation of Compounds from Balanites aegyptiaca against Squalene Epoxidase of Micropsorum gypseum—In Vitro and In Silico Studies
Authors: Abuthakir Mohamed Husain Syed , Hemamalini V. , Alahmadi Reham M. , Ahamed Anis , Hatamleh Ashraf Atef , Abdullah Razack , Muthusamy Jeyam 
Published: September 2023

Microsporum gypseum is a dermatophyte with a geophilic nature that is found all over the globe. It mainly causes tinea in the scalp, arms, and legs in humans. Squalene epoxidase (SE) is a crucial enzyme in M. gypseum for the biosynthesis of ergosterol. The medicinal plant Balanites aegyptiaca is an abundant supply of secondary constituents with great therapeutic values. In this research, the fruit epicarp portion was used to inhibit M. gypseum using experimental and computational techniques. The anti-dermatophytic activity of epicarp extracts on M. gypseum was evaluated using the poison plate method at five different concentrations. At 3 mg/mL, the M. gypseum was completely controlled by the fractioned chloroform extract of epicarp. The compounds from previous research were utilized for docking studies (Abuthakir et al., 2022). The ideal compounds and the drug terbinafine were then docked using Schrödinger’s Glide module. It demonstrates that (3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside outperforms other substances and the drug terbinafine in docking analysis. Desmond, Schrödinger Molecular Dynamics simulations were also performed for (3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside-squalene epoxidase complexes. The complex appears to be more stable, according to the MD simulation research. This study indicates that (3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside could be used as a potential inhibitor of M. gypseum growth, and it could be studied further.
Molecular Identification of Piroplasmids in Ticks from Infested Small Ruminants in Konya Province, Turkey
Authors: Ma Zhuowei , Ceylan Onur , Galon Eloiza May , Mohanta Uday Kumar , Ji Shengwei , Li Hang , Do Thanh Thom , Umemiya-Shirafuji Rika , El-Sayed Shimaa Abd El-Salam , Zafar Iqra , Liu Mingming , Sevinc Ferda , Xuan Xuenan 
Published: September 2023

Ticks play a pivotal role in propagating a diverse spectrum of infectious agents that detrimentally affect the health of both humans and animals. In the present study, a molecular survey was executed of piroplasmids in ticks collected from small ruminants in four districts within Konya province, Turkey. Microscopic examination identified 1281 adult ticks, which were categorized into 357 pools based on their species, sexes, host animals, and collection site before DNA extraction. The infection rates were calculated by using a maximum likelihood estimate (MLE) with 95% confidence intervals (CI). Hyalomma detritum, H. excavatum, Rhipicephalus bursa, R. sanguineus, and R. turanicus were identified in this study. Among the five tick species identified here, R. turanicus exhibited the highest infestation rate in both goats and sheep. The presence of Babesia ovis and Theileria ovis based on 18S rRNA was confirmed using molecular assay. The overall MLE of infection rates for B. ovis and T. ovis was 2.49% (CI 1.72–3.46) and 1.46% (CI 0.87–2.23), respectively. The MLE of B. ovis and T. ovis infection rates in R. bursa was 10.80% (CI 7.43–14.90) and 0.33% (CI 0.02–1.42), respectively, while that in R. turanicus was 0.12% (CI 0.01–0.51) and 2.08% (CI 1.25–3.22). This study further confirms that R. turanicus and R. sanguineus can act as vectors for B. ovis, thus advancing our comprehension of tick-borne piroplasmids epidemiology and providing valuable insights for the development of effective control strategies for ticks and tick-borne diseases in Turkey.
Molecular Dynamics Calculation of the Coordination Behavior of Yb (III) in Sodium Carbonate Solution
Authors: Lan Qiaofa , Yang Youming , Xie Ziyu , Guo Haoran , Liu Donghui , Zhang Xiaolin 
Published: September 2023

Yb (III) shows complex behavior of coordination dissolution and precipitation in carbonate solutions, but the properties of CO32− coordination and hydration to Yb (III) in the solution have not been explicated. In this work, the dissolution rule of Yb (III) with CO32− concentration has been studied. The radial distribution function and the coordination number of CO32− and H2O to Yb (III) were calculated by molecular dynamics simulation, and the complex ion form of Yb was obtained. The ultraviolet–visible spectrum and the ionic structures of Yb (III) complex ions were geometrically optimized and calculated by using density functional theory. Then, the experimental ultraviolet–visible spectra and density functional theory results were combined to verify the molecular dynamics calculations. The results indicate that Yb (III) undergoes precipitation in low-concentration carbonate solution, but, in high-concentration carbonate solution, Yb (III)’s carbonates will undergo dissolution. The main reason for the dissolution of Yb (III)’s carbonates is the coordination effect of CO32− on Yb (III); the coordination of carbonate on Yb (III) occurs with a CO32− concentration range of 0.4~2.0 mol·L−1. Yb (III) mainly exhibits [Yb·9H2O]3+ hydrated form in the aqueous solution, while, in the carbonate solution, [Yb·9H2O]3+ is converted into [Yb(CO3)2·5H2O]− complex. [Yb(CO3)2·5H2O]− complex is the main ionic form in high-concentration carbonate solutions. The analysis method in this work provides guidance for understanding the coordination and hydration characteristics of oxyacid radicals to rare earth elements.
Breve inventário de Comunicações circunscritas a temáticas asiáticas apresentadas em eventos acadêmicos da área de Ciência(s) da(s) Religião(ões) no Brasil (2011-2021)
Authors: De Carvalho Matheus Landau , Silva Bruno do Carmo 
Published: September 2023

No século XXI, é visível um crescente interesse acadêmico brasileiro pela pesquisa de realidades asiáticas, principalmente nas Pós-graduações de Letras, Filosofia e Ciências Humanas. O artigo tem como objetivo não apenas apontar para um panorama mais amplo de Centros, Núcleos, Programas, Grupos de Pesquisa, Estudo e Trabalho, Sessões Temáticas e Eventos com temáticas asiáticas nas supracitadas áreas acadêmicas no Brasil, mas também fazer uma breve análise das comunicações realizadas em GTs e STs da ANPTECRE e do CONACIR dedicadas a realidades asiáticas, levando-se em consideração três critérios, i.e., as metodologias da(s) Ciência(s) da(s) Religião(ões) empregadas, os gêneros das autorias, e as tradições que foram objeto das comunicações oralmente realizadas.
Religião e asilo
Authors: Francisco dos Santos Neto Ernani 
Published: September 2023

O presente artigo objetivou analisar a interface dos antigos asilos, hoje, denominados de Instituição de Longa Permanência para Idosos (ILPIs), com a religião. Partindo de uma revisão bibliográfica, o estudo versa sobre as origens dos asilos e as novas configurações dessa instituição secular. Em sequência, apresenta o desenvolvimento de um mercado de ILPIs no contexto brasileiro e aborda a Assistência Religiosa com foco para o espaço asilar. O estudo revela uma mudança no perfil das instituições asilares, cuja história está diretamente ligada às associações religiosas e organizações de benemerência e também militares. Atualmente, verifica-se, ainda, a presença de especialidades médicas e ofertas de serviços em saúde. Nas novas configurações, a religião continua presente e torna-se um elemento de fundamental importância tanto para o idoso quanto para a instituição.
Palavras chaves: Religião. Asilos. ILPIs. Assistência religiosa. Brasil.