Miracle-dz/UniFAR-FTUs huggingface dataset:
Polymorphism and Multi-Component Crystal Formation of GABA and Gabapentin

This study exploits the polymorphism and multi-component crystal formation of γ-amino butanoic acid (GABA) and its pharmaceutically active derivative, gabapentin. Two polymorphs of GABA and both polymorphs of gabapentin are structurally revisited, together with gabapentin monohydrate. Hereby, GABA form II is only accessible under special conditions using additives, whereas gabapentin converts to the monohydrate even in the presence of trace amounts of water. Different accessibilities and phase stabilities of these phases are still not fully clarified. Thus, indicators of phase stability are discussed involving intermolecular interactions, molecular conformations, and crystallization environment. Calculated lattice energy differences for polymorphs reveal their similar stability. Quantification of the hydrogen bond strengths with the atoms-in-molecules (AIM) model in conjunction with non-covalent interaction (NCI) plots also shows similar hydrogen bond binding energy values for all polymorphs. We demonstrate that differences in the interacting modes, in an interplay with the intermolecular repulsion, allow the formation of the desired phase under different crystallization environments. Salts and co-crystals of GABA and gabapentin with fumaric as well as succinic acid further serve as models to highlight how strongly HBs act as the motif-directing force in the solid-phase GABA-analogs. Six novel multi-component entities were synthesized, and structural and computational analysis was performed: GABA fumarate (2:1); two gabapentin fumarates (2:1) and (1:1); two GABA succinates (2:1) and (1:1); and a gabapentin:succinic acid co-crystal. Energetically highly attractive carboxyl/carboxylate interaction overcomes other factors and dominates the multi-component phase formation. Decisive commonalities in the crystallization behavior of zwitterionic GABA-derivatives are discussed, which show how they can and should be understood as a whole for possible related future products.
Open Questions about the Roles of DnaA, Related Proteins, and Hyperstructure Dynamics in the Cell Cycle

The DnaA protein has long been considered to play the key role in the initiation of chromosome replication in modern bacteria. Many questions about this role, however, remain unanswered. Here, we raise these questions within a framework based on the dynamics of hyperstructures, alias large assemblies of molecules and macromolecules that perform a function. In these dynamics, hyperstructures can (1) emit and receive signals or (2) fuse and separate from one another. We ask whether the DnaA-based initiation hyperstructure acts as a logic gate receiving information from the membrane, the chromosome, and metabolism to trigger replication; we try to phrase some of these questions in terms of DNA supercoiling, strand opening, glycolytic enzymes, SeqA, ribonucleotide reductase, the macromolecular synthesis operon, post-translational modifications, and metabolic pools. Finally, we ask whether, underpinning the regulation of the cell cycle, there is a physico-chemical clock inherited from the first protocells, and whether this clock emits a single signal that triggers both chromosome replication and cell division.
Perceived risk and its role in the influence of brand awareness on purchase intention: study of Shopee users

Purpose : This research aimed to analyze the role of perceived risk in the relationship between brand awareness and purchase intention. This research is important because the perceived risk of online purchasing can influence consumer purchasing behavior. Design/methodology/approach : This research used an explanatory study with a quantitative approach. The research was conducted on 112 Shopee users in Makassar City. Data were collected through an online questionnaire. The data collected were analyzed using the Structural Equation Modelling (SEM) with the AMOS application and the Sobel Test to test the indirect relationship. Findings : Risk, financial risk, time risk, delivery risk
Livelihood alterations and Indigenous Innovators in the Ecuadorian Amazon

This article approaches livelihood alterations in Indigenous communities of the Ecuadorian Amazon as means of adaptation and resistance to socio-environmental impacts brought along by the expansion of global capitalism. The cases comprise collective Indigenous endeavors in typically capitalist sectors - tourism and mining - illustrated by the experiences of Kichwa community tourism in Shiripuno in the central Amazon, and sustainable mining in the southern Amazonian Shuar community of Congüime (Kenkuim). The aim is to unravel these emerging livelihood strategies in relation to Indigenous ethno-cultural identity. Methodologically, we rely on comparative and ethnographic work in the field with Indigenous actors, and on a theoretical framework anchored in the concepts of innovators, cultural boundary changes (Fredrik Barth), social fields of force (William Roseberry), and intercultural regimes (Fernando Galindo and Xavier Albó). In both empirical cases - Indigenous-controlled tourism and mining - communities are framing their ethnic identity to engage with, and positively reposition themselves in relation to the wider society. We hold that these endeavors must be comprehended as highly innovative, and that indigeneity and cultural boundaries can be strengthened by socio-cultural changes toward livelihoods previously considered as “unauthentic” or “non-Indigenous”. We also argue that these new livelihood orientations have (purposely) altered gender relations within the communities in benefit of women. Additionally, our cases suggest that cultural strengthening and gender empowerment, among other positive outcomes, requires a nuanced apprehension of indigeneity as a partly floating concept and instrument gaining ground amid the increasing interconnectedness of ancient traditions and capitalist modernity.
Morphological overdispersion supports the role of competition in the community assembly of dragonﬂies: drivers and spatio-seasonal variation

Our understanding of how biotic interactions inﬂuence animal community assembly is largely restricted to local systems due to the diﬃculty of obtaining ecologically meaningful assemblage data across large spatial extents. We used a unique dataset of thousands of spatio-phenologically high-resolution assemblages across three distinct European regions together with a functional diversity approach to understand community assembly of dragonﬂies and damselﬂies (Odonata), a group characterized by a pronounced competitive reproductive biology. We found that dragonﬂy, but not damselﬂy, assemblages were consistently overdispersed in the morphological traits driving inter-speciﬁc reproductive encounters, which supports the role of competition. As predicted by ecological theory, support for competition varied spatially and seasonally as a result of changes in temperature stress and niche packing. Our study provides uniquely consistent and general evidence for the role of competition in animal community assembly, and illustrates mechanistically how spatio-temporal diversity patterns arise from variation in assembly processes.
Assessment of Working Environment Factors Influencing Construction Workers' Performance in the Nigerian Construction Industry

: The working environment plays a crucial role in determining the performance of employees in the construction industry. Factors such as physical conditions, ergonomics, and the social and cultural atmosphere significantly impact how well employees carry out their tasks. Unfortunately, these factors have been negatively affecting the performance and productivity of the Nigerian construction industry. This study aims to assess the working environment factors that influence construction workers' performance in Nigeria. A quantitative research approach was adopted, utilizing a five-point Likert-based questionnaire for data collection. A total of 200 questionnaires were distributed, resulting in 187 valid responses, which is considered adequate for analysis. The results indicate that 11 out of the 16 hypothesized barriers were statistically significant, surpassing the set threshold of 3.5. The most significant factors influencing construction workers' performance in the working environment were found to be disputes among workers, poor weather conditions, equipment failure, changes in orders during unpredictable execution, and major rework due to unforeseen conditions. Through factor analysis, the barriers were categorized into three components: "Physical and Social-related barriers," "Operational-related barriers," and "Welfare-related barriers. " This study highlights the paramount importance of working conditions in determining employee performance and recommends the development and implementation of strategies to mitigate working condition challenges in the construction industry. The findings of this study can be applicable to construction industries in other countries with similar characteristics to Nigeria.
Loneliness, Anxiety and Depression among Patients with Epilepsy

Introduction. Epilepsy is one of the most common neurological disorders. The unpredictability of epileptic seizures can lead to feelings of loneliness, social isolation and stigmatisation. Due to the nature of this syndrome, patients may also show symptoms of depression. Aim. The aim of the study was to determine the prevalence of anxiety, depression and loneliness, and the relationship between loneliness and depression among adult patients with epilepsy. Material and Methods. This was a cross-sectional, observational study. A total of 206 patients with epilepsy participated in the study. The study was conducted using a website dedicated for persons with epilepsy. Data was collected from November 2021 to March 2022. Two research tools were used in the study: DeJong Gierveld Loneliness Scale (DJGLS) and the Hospital Anxiety and Depression Scale (HADS-M) and an author-developed demographic questionnaire to characterise the study group. Results. The prevalence of depressive symptoms and borderline abnormalities was 51.5%, 22.8%, respectively. In the depression subscale, 48.1% of the respondents had depressive symptoms and 22.1% had borderline abnormalities. The anxiety and irritability subscales showed disorders in 34.5% and 69.4% of the respondents, respectively. A very high and high level of loneliness was found in 17% and 26% of respondents, respectively. A moderate level of loneliness was reported by 40% of respondents. In terms of emotional loneliness, severe and moderate loneliness affected 52% and 21% of respondents, while severe and moderate social loneliness was reported by 41% and 28% of respondents. Conclusions. The study showed relatively high levels of loneliness and depressive symptoms. A significant correlation was found between the level of loneliness and the intensity of depressive symptoms. (JNNN 2023;12(1):34–43)
Investigation of the Impact of L-Phenylalanine and L-Tyrosine Pre-Treatment on the Uptake of 4-Borono-L-Phenylalanine in Cancerous and Normal Cells Using an Analytical Approach Based on SC-ICP-MS

Boron has gained significant attention in medical research due to its B-10 isotope’s high cross section for the reaction with thermal neutrons, generating ionizing particles that can eliminate cancer cells, propelling the development of boron neutron capture therapy (BNCT) for cancer treatment. The compound 4-borono-L-phenylalanine (BPA) has exhibited potential in BNCT clinical trials. Enhancing BPA uptake in cells involves proposing L-amino acid preloading. This study introduces a novel analytical strategy utilizing ICP-MS and single cell ICP-MS (SC-ICP-MS) to assess the effectiveness of L-tyrosine and L-phenylalanine preloading on human non-small cell lung carcinoma (A549) and normal Chinese hamster lung fibroblast (V79-4) models, an unexplored context. ICP-MS outcomes indicated that L-tyrosine and L-phenylalanine pre-treatment increased BPA uptake in V79-4 cells by 2.04 ± 0.74-fold (p = 0.000066) and 1.46 ± 0.06-fold (p = 0.000016), respectively. Conversely, A549 cells manifested heightened BPA uptake solely with L-tyrosine preloading, with a factor of 1.24 ± 0.47 (p = 0.028). BPA uptake remained higher in A549 compared to V79-4 regardless of preloading. SC-ICP-MS measurements showcased noteworthy boron content heterogeneity within A549 cells, signifying diverse responses to BPA exposure, including a subset with notably high BPA uptake. This study underscores SC-ICP-MS’s utility in precise cellular boron quantification, validating cellular BPA uptake’s heterogeneity.
Climate Change and Migration

Climate Change and Migration in the South Pacific Region: Policy Perspectives Conference This chapter introduces key issues that were discussed at the Climate Change and Migration in the South Pacific Region: Policy Perspectives Conference. It sets the context with a series of questions and provides a framework to help guide discussion. The links between climate change, environmental degradation, and migration are manifold and not always clearly perceived. Moreover, many of the issues they raise are potentially controversial. The conference focused on the possibility of climate change–related migration in the South Pacific, one of the regions of the world predicted to be most affected by the impacts of climate change. The conference used regional examples of situations where adverse environmental events and processes had resulted in migration and displacement as a lens through which to consider the wider human mobility and
Does Monosodium Urate Crystal Vascular Deposition Exist? Review of the Evidence

Cardiovascular disease in gout is a central issue, but the underlying mechanisms linking the two are unclear. The existence of monosodium (MSU) crystal deposition directly inflaming vessel walls has been recurrently suggested and challenged since the 1950s and is again a matter of active debate since recent studies using dual-energy computed tomography (DECT) suggested a higher prevalence of plaques considered to be containing MSU crystals in patients with gout. The objective of this review is to critically cover the evidence gathered on MSU crystal deposition in the cardiovascular system. In patients affected with gout, histological evidence of MSU crystals in arteries lacks a biochemical characterization supporting the observation in polarized light microscopy, while current knowledge on vascular lesions identified in DECT as containing MSU crystals suggests that they may be only artifacts, including in cadaveric and phantom studies. In individuals without gout, MSU crystal deposition in vessel walls have not been demonstrated, despite higher urate local plaque concentrations and increased xanthine oxidase activity. Gout is associated with increased arterial calcification and atherosclerosis, both being potential confounders of suspected MSU crystal deposition for the analysis of DECT scans and histopathology, respectively. In summary, the reality of the presence of MSU crystals in vascular plaques has not been demonstrated so far, and needs further investigation as it represents a potential outcome for cardiovascular complications of gout.
Evaluation of Lipid Extraction Protocols for Untargeted Analysis of Mouse Tissue Lipidome

Lipidomics refers to the full characterization of lipids present within a cell, tissue, organism, or biological system. One of the bottlenecks affecting reliable lipidomic analysis is the extraction of lipids from biological samples. An ideal extraction method should have a maximum lipid recovery and the ability to extract a broad range of lipid classes with acceptable reproducibility. The most common lipid extraction relies on either protein precipitation (monophasic methods) or liquid–liquid partitioning (bi- or triphasic methods). In this study, three monophasic extraction systems, isopropanol (IPA), MeOH/MTBE/CHCl3 (MMC), and EtOAc/EtOH (EE), alongside three biphasic extraction methods, Folch, butanol/MeOH/heptane/EtOAc (BUME), and MeOH/MTBE (MTBE), were evaluated for their performance in characterization of the mouse lipidome of six different tissue types, including pancreas, spleen, liver, brain, small intestine, and plasma. Sixteen lipid classes were investigated in this study using reversed-phase liquid chromatography/mass spectrometry. Results showed that all extraction methods had comparable recoveries for all tested lipid classes except lysophosphatidylcholines, lysophosphatidylethanolamines, acyl carnitines, sphingomyelines, and sphingosines. The recoveries of these classes were significantly lower with the MTBE method, which could be compensated by the addition of stable isotope-labeled internal standards prior to lipid extraction. Moreover, IPA and EE methods showed poor reproducibility in extracting lipids from most tested tissues. In general, Folch is the optimum method in terms of efficacy and reproducibility for extracting mouse pancreas, spleen, brain, and plasma. However, MMC and BUME methods are more favored when extracting mouse liver or intestine.
Title : Hamstring myoelectrical activity during three different kettlebell swing exercises . Running title : Hamstring EMG during kettlebell swings

Kettlebell exercises have become an increasingly popular form of resistance training and component of lower body rehabilitative training programs; despite a lack of scientific literature illustrating internal mechanisms and effectiveness of these approaches. Participants (n=14) performed three different styles of kettlebell swings (hip hinge, squat and double knee extension) and were assessed for medial hamstrings (MH) and biceps femoris (BF) myoelectrical activity via surface electromyography (sEMG). Bipolar pre-gelled Ag/AgCl surface electromyography (sEMG) electrodes (10mm diameter, 20mm inter-electrode distance) were placed on the participant’s dominant limb after correct skin preparation. There was a main effect for swing type (p = 0.004), where the hip hinge swing elicited a greater overall MH and BF sEMG in comparison to the squat swing (mean difference = 3.92; 95% CI = 1.53 to 6.32; p = 0.002) and the double knee extension swing (mean difference = 5.32; 95% CI = 0.80 to 9.83; p = 0.020). Across all swing types, normalised percentage of MH sEMG was significantly higher compared to the BF (mean difference = 9.93; 95% CI = 1.67 to 18.19; p = 0.022). The hip hinge kettlebell swing produced the greatest amount of hamstring sEMG for the three styles of kettlebell swings assessed. These findings have implications for the application of kettlebell swing exercises in strength and conditioning, injury prevention and rehabilitation programs.
Roles of Nrf2/HO-1 and ICAM-1 in the Protective Effect of Nano-Curcumin against Copper-Induced Lung Injury

Copper (Cu) is an essential trace element for maintaining normal homeostasis in living organisms. Yet, an elevated level of Cu beyond homeostatic capacity may lead to oxidative damage of cellular components in several organs, including the lungs. This work investigated the effects of curcumin (Curc) and nano-curcumin (nCurc) against Cu-induced lung injury, accenting the roles of oxidative stress, inflammation, and the nuclear factor erythroid 2-related factor/heme oxygenase-1 Nrf2/HO-1 pathway. Rats were challenged with 100 mg/kg of copper sulfate (CuSO4) while being treated with Curc or nCurc for 7 days. Cu-triggered lung oxidative stress detected as dysregulation of oxidative/antioxidant markers, a downregulation of Nrf-2/HO-1 signaling, and an increase in the inflammatory markers interleukin-6 (IL-6), tumor necrosis factor-alpha (TNF-α), and intracellular adhesion molecule-1 (ICAM-1). Additionally, it decreased the expression of lung-specific proteins, surfactant protein-C (SP-C), and mucin-1 (MUC-1), induced apoptosis, and caused changes in lung histology. Curc and nCurc alleviated CuSO4-induced lung injury by suppressing oxidative damage and inflammation and activating Nrf-2/HO-1. They also prevented apoptosis and restored the normal expression of SP-C and MUC-1. We concluded that nCurc exhibited superior efficacy compared with Curc in mitigating CuSO4-induced lung injury. This was associated with reduced oxidative stress, inflammation, and apoptotic responses and increased Nrf2/HO-1 signaling and expression of SP-C and MUC-1.
Prefrontal activation in response to a plantar contact task under open and closed eye conditions in patients with cerebral infarction

Objective This study investigates the effect of a bilateral (paralyzed side, healthy side) plantar contact task on dorsolateral prefrontal activation in patients recovering from cerebral infarction under open and closed eye conditions. Methods We selected 10 patients with cerebral infarction, admitted to the neurorehabilitation center of Beijing Rehabilitation Hospital, affiliated with Capital Medical University, from January 2019 to July 2020, who met our established criteria. Under open-eye and closed-eye conditions, the paralyzed and healthy sides performed the plantar contact tasks separately. The dorsolateral prefrontal region was monitored simultaneously with functional near-infrared spectroscopy (fNIRS), and activation was analyzed according to the curve-type changes of oxyhemoglobin and deoxyhemoglobin changes in the dorsolateral prefrontal cortex with 560 near-infrared monitoring channels. Results After stratifying the data based on the eyes-open and eyes-closed conditions, some degree of heterogeneity was observed between the layers. Under the eyes-closed condition, the Pearson χ2 was 0.142, with a p value of 0.706, indicating no significant impact of the eyes-closed condition on the activation of the dorsolateral prefrontal cortex during the plantar task, whether performed on the paralyzed or the healthy side. In contrast, the Pearson χ2 value was 15.15 for the eyes-open condition, with a p value of 0.002. This suggests that carrying out the plantar task, either on the paralyzed or the healthy side, with eyes open significantly influenced the activation of the dorsolateral prefrontal cortex. Furthermore, activation of the dorsolateral prefrontal cortex was 1.55 times higher when the task was executed with the paralyzed side compared to the healthy side. This implies that the paralyzed side was more likely to activate the dorsolateral prefrontal lobe when performing the plantar contact task under eyes-open conditions. Conclusion Observations via fNIRS revealed that the plantar contact task elicited dorsolateral prefrontal cortex activation. Moreover, the activation effect was intensified when performed on the paralyzed side under eyes-open conditions. Therapeutic methods that leverage these findings—namely cognitive-motor therapies that promote the recovery of motor functions by activating cognitive control brain regions via perception (information construction)—may hold promise.
EGFR trafficking: effect of dimerization, dynamics, and mutation

Spontaneous dimerization of EGF receptors (EGFR) and dysregulation of EGFR signaling has been associated with the development of different cancers. Under normal physiological conditions and to maintain homeostatic cell growth, once EGFR signaling occurs, it needs to be attenuated. Activated EGFRs are rapidly internalized, sorted through early endosomes, and ultimately degraded in lysosomes by a process generally known as receptor down-regulation. Through alterations to EGFR trafficking, tumors develop resistance to current treatment strategies, thus highlighting the necessity for combination treatment strategies that target EGFR trafficking. This review covers EGFR structure, trafficking, and altered surface expression of EGFR receptors in cancer, with a focus on how therapy targeting EGFR trafficking may aid tyrosine kinase inhibitor treatment of cancer.