bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interaction of genetics risk score (GRS) and fatty acids quality indices on healthy and unhealthy obesity phenotype
Authors: Rasaei Niloufar , Fatemi Seyedeh Fatemeh , Gholami Fatemeh , Samadi Mahsa , Mohammadian Mohammad Keshavarz , Mirzaei Khadijeh 
Published: March 2023

Abstract
Background: The growth in obesity and rates of abdominal obesity in developing countries is due to the dietary transition. Environmental changes, such as increasing the quality of dietary fat consumed, may be useful in prevent or improvement the obesity or unhealthy obesity phenotype in persons who are genetically predisposed to it, although this is not yet firmly established. Therefore, in the current study, we look at how dietary fat quality indices with metabolically healthy obesity (MHO) or metabolically unhealthy obesity (MUO) based on Karelis criteria interact with genetic predisposition in Iranian female adults.
Methods: 279 obese and overweight women participated in the current cross-sectional investigation. Dietary assessment was done using a 147-item food frequency questionnaire (FFQ) and dietary fat quality was assessed by cholesterol-saturated fat index (CSI) and the ratio of omega-6/omega-3 (N6/N3) essential fatty acids. Three single nucleotide polymorphisms—MC4R (rs17782313), CAV-1 (rs3807992), and Cry-1(rs2287161) were genotyped by polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) technique and were combined to produce the genetic risk score (GRS). Using a multi-frequency bioelectrical impedance analyzer, body composition was evaluated. The participants were divided into MHO or MUO phenotypes after the metabolic risk was evaluated using Karelis criteria.
Results: We found significant interactions between GRS and N6/N3 in adjusted model controlling for confounding factors (age, BMI, energy, and physical activity) (β= 2.26, 95% CI= 0.008–4.52, P= 0.049). In addition, we discovered marginal significant interactions between GRS and N6/N3 in crude (β= 1.92, 95% CI= -0.06–3.91, P= 0.058) and adjusted (age and energy) (β= 2.00, 95% CI= -0.05–4.05, P= 0.057) models on MUH obesity phenotype. However, no significant interactions between GRS and CSI were shown in both crude and adjusted models.
Conclusion: This study highlights the importance of personalized nutrition and recommends further study of widely varying fat intake based on the findings on gene-N6/N3 PUFA interactions.
At the origin of Neanderthals and modern humans - Cerebral complexity and encephalization
Authors: Rubini Mauro , Tuniz Claudio , Bernardini Federico , Vincenzo Fabio Di , festa giulia , gozzi alessandro , libianchi nunzia , scorrano gabriele , macciardi fabio , fallon james , Manzi Giorgio , Zaio Paola 
Published: March 2023

Abstract
The increase of brain dimensions and complexity has characterized the evolution of the genus Homo. According to the available fossil and genetic evidence, a crucial stage came before the divergence of Neanderthals, Denisovans and Homo sapiens, during the Middle Pleistocene. We consider a specimen of about 400 ka, whose phenotype is at the roots of this divergence: Ceprano calvarium (Italy). Here, we show a derived cerebrovascular organization with a mosaic of modern human and primitive features characteristics. Computed microtomography shows vascular variation and ontogenetic defects associated with ventricular and lymphatic involvement while phylogenetic analyzes highlight a dysregulation of the Tet1 gene that shows an accelerated mutation rate between 1.2 Ma and 466 ka, in contrast with the expected neutral evolution of the human genome. These results shed light on the dynamics of cranio-cerebral growth during the encephalization process and on the cerebral vascular and lymphatic system involved in this process. The results of this study could have implications for the research of many of the diseases of the central nervous system that have become predominant in an increasingly structured and long-lived brain system such as that of modern Homo sapiens.
One-Sentence Summary: Genetic mutation, anatomical variations and glymphatic system in the process of encephalization towards Homo sapiens.
In vitro cytotoxic effect of 3β-Stigmasterol derivatives against breast cancer cells
Authors: Dube Nondumiso Premilla , Tembu Vuyelwa Jacqueline , Nyemba Getrude R , Davison Candace , Rakodi Goitsemodimo Herckious , Kemboi Douglas , Mare Jo-Anne , Siwe-Noundou Xavier , Manicum Amanda Ezra-Lee 
Published: March 2023

Abstract
Background
3β-Stigmasterol is an unsaturated phytosterol that belong to the class of tetracyclic steroids abundant in Rhoicissus tridentata. Stigmasterol is an important constituent since it has shown impressive pharmacological effects such as anti-osteoarthritis, anticancer, anti-diabetic, anti-inflammatory, antiparasitic, immunomodulatory, antifungal, antioxidant, antibacterial, and neuroprotective activities. Furthermore, due to the presence of π system and hydroxyl group, stigmasterol is readily derivatized through substitution and addition reactions, allowing for the synthesis of a wide variety of stigmasterol derivatives.
Methods
3β-Stigmasterol (1) isolated from Rhoicissus tridentata was used as starting material to yield eight bio-active derivatives (2–9) through acetylation, epoxidation, epoxide ring opening, oxidation, and dihydroxylation reactions. The structures of all the compounds were established using spectroscopic techniques, NMR, IR, MS, and melting points. The synthesized stigmasterol derivatives were screened for cytotoxicity against the hormone receptor-positive breast cancer (MCF-7), triple-negative breast cancer (HCC70), and non-tumorigenic mammary epithelial (MCF-12A) cell lines using the resazurin assay.
Results
Eight stigmasterol derivatives were successfully synthesized namely; Stigmasterol acetate (2), Stigmasta-5,22-dien-3,7-dione (3), 5,6-Epoxystigmast-22-en-3β-ol (4), 5,6-Epoxystigmasta-3β,22,23-triol (5), Stigmastane-3β,5,6,22,23-pentol (6), Stigmasta-5-en-3,7-dion-22,23-diol (7), Stigmasta-3,7-dion-5,6,22,23-ol (8) and Stigmast-5-ene-3β,22,23-triol (9).The synthesized stigmasterol analogues showed improved cytotoxic activity overall compared to the 3β-stigmasterol (1), which was not toxic to the three cell lines tested (EC50 ˃ 250 µM). In particular, 5,6-Epoxystigmast-22-en-3β-ol (4) and stigmast-5-ene-3β,22,23-triol (9) displayed improved cytotoxicity and selectivity against MCF-7 breast cancer cells (EC50 values of 21.92 and 22.94 µM, respectively), while stigmastane-3β,5,6,22,23-pentol (6) showed improved cytotoxic activity against the HCC70 cell line (EC50: 16.82 µM).
Conclusion
Natural products from Rhoicissus tridentata and their derivatives exhibit a wide range of pharmacological activities, including anticancer activity. The results obtained from this study indicate that molecular modification of 3β-stigmasterol functional groups can generate structural analogues with improved anticancer activity. Stigmasterol derivatives have potential as candidates for novel anticancer drugs.
Method to aid the diagnosis of prostate cancer using machine learning and clinical data
Authors: Araujo Wesley B. D. , Santana Ewaldo E. C. , Sousa Nilviane P. S. , Junior Carlos M. S. , Filho Allan K. D. B. , Moura Giullianno L. , Santos José A. L. M. , Lopes Paloma L. A. , Silva Wesley N. , Gonçalves João P. P. , Silva Felipe C. B. R. 
Published: March 2023

Abstract
Prostate cancer is the most common type of cancer among men and the one that causes the most deaths in the world. To start the diagnosis of prostate cancer, basically are used digital rectal examination (DRE) and prostate-specific antigen (PSA) levels. Currently, the biopsy is the only procedure able to confirm cancer, it has a high financial cost, and it is a very invasive procedure. In this research, a new method is suggested to aid in the screening of patients at risk of prostate cancer. The method was developed based on clinical variables (age, race, diabetes mellitus (DM), alcoholism, smoking, systemic arterial hypertension (SAH), DRE, and total PSA) obtained from the patient’s medical records. The method was tested using the algorithms of machine learning: Support Vector Machine (SVM), Naive Bayes (NB), K-Nearest Neighbor (KNN), Decision Trees (DT), and Artificial Neural Networks (ANN), which predicted the samples between the presence or absence of prostate cancer. The method evaluation was made by performance metrics: accuracy, specificity, sensitivity, and AUROC (area under the receiver operating characteristic). The best performance found was through the Linear SVM model, resulting in an accuracy of 86.8%, sensitivity of 88.2%, specificity of 85.3%, and AUROC of 0.90.
Theoretical study on the adsorption and oxidation of glucose on Au(111) surface
Authors: Wang Yingying , Liu Zhanna , Sun Hainan , Yu Zhan , Zhong Wenhui 
Published: March 2023

Abstract
Context While Au-based catalysts recently have shown tremendous potential in glucose oxidation to gluconic acid, the detailed reaction mechanism is still unclear, which impedes the development of direct glucose fuel cell (DGFC).
Methods Using density functional theory (DFT), we exhibit some new adsorption configurations and oxidation mechanisms by considering both the open chain form and the ring form of glucose on Au(111) surface in the presence of OH. The strong interactions between glucose and the OH adsorbed surface are obtained. Moreover, form the calculated energy pathways, the oxidation of glucose in the open chain involves the dissociation of the formyl C−H bond by the adsorbed OH, while the ring form glucose oxidation is initiated by O−H bond rupture rather than C−H bond scission and preferentially undergoes the ring-open process to generate the open chain form glucose. Meanwhile, the results demonstrate that the adsorbed OH assists in reducing the activation energy of reaction process.
Enhancing the Cloud Security using Secured Quantum Key Distribution
Authors: N Gopinath 
Published: March 2023

AbstractCloud storages are currently crucial for data storage due to the rapid rise in data demand. However, there are security concerns with cloud computing, such as holes that allow hackers to access or edit data. Such that the data security algorithms are utilized. The primary issue is how to securely distribute the encryption key among users, which is why numerous techniques have been created. Hackers may be able to access the secret key with the use of cutting-edge quantum computers. To avoid those problems quantum key distribution methods are developed. The presented work uses some preprocessing techniques like shifting and binary conversion together with block re-ordering method, fuzzification process, and block re-ordering method to identify and address side channel assaults, one of the issues in the quantum key distribution algorithms. By minimizing security losses, the Binary Conversion and Block Reordering with Fuzzification procedure improve the accuracy and authenticity of the data. According to the experimental findings, the mean rate of security harms using Binary Conversion and Block reordering with Fuzzifcation method is 0.69, whereas the mean rate using conventional approaches is 11.0, with standard deviations of 0.3785 and 6.055, respectively.
Decorated bacteria-cellulose meta-skin kirigami
Authors: Zhu Xue-Feng , Li Zonglin , Chen Kun , Li Fei , Shi Zhijun , Sun Qi-Li , Li Pengqi , Peng Yu-Gui , Huang Laixin , Yang Guang , Zheng Hairong 
Published: March 2023

Abstract
Cellulose, as a component of green plants, becomes attractive for fabricating biocompatible flexible functional devices but plagued by hydrophilic properties which make it easily break down in water by poor mechanical stability. Here we report a class of SiO2-nanoparticle-decorated bacteria-cellulose meta-skin with a superior stability in water, excellent machining property, ultrathin thickness, and bacteria repairing capacity. We further develop the methodology of meta-skin kirigami that can generate intricate patterns of ~10 μm precision. Benefited from the ultrasound insulation of the surface Cassie-Baxter states, we utilize the meta-skin kirigami to design and fabricate ultrathin (~ 20 μm) and super-light (< 20 mg) chip-scale devices, such as nonlocal holographic meta-lens and the 3D imaging meta-lens, realizing complicated acoustic holograms and high-resolution 3D ultrasound imaging in the far field. The cellulose-based meta-skin kirigami opens the way for exploiting flexible and bio-degradable soft metamaterial devices with functionality customization and key applications in advanced biomedical engineering technologies.
Evaluation of non-traumatic brachial plexus using Diffusion Tensor Imaging
Authors: PAYEN Mathilde , DIDIER Mélanie , VIALLE Raphaël , Lehericy Stéphane , Fitoussi Franck , BACHY Manon 
Published: March 2023

Abstract
BACKGROUND: Clinical examination is the gold standard for surgical indication. Electromyogram and conventional MRI are insufficient to understand the highly variable clinical presentation of neonatal brachial plexus (BP) lesions. Diffusion Tensor Imaging is based on motion of water molecules and can explore nerve function. PURPOSE: This pilot study of healthy subjects aimed to develop a new method for BP exploration using MRI. The main objective was to obtain complete and accurate BP mapping using DTI and MRI tractography.
METHODS: Six healthy volunteers had MRI (3T PRISMA) with anatomical 3D STIR, SPACE and RESOLVE diffusion sequences. Image analysis and processing was performed with MATLAB software. Diffusion parametric maps of fractional anisotropy (FA) were extracted from RESOLVE acquisitions. A reproducible method for root volume and angle measurements was created using 3DSlicer. Regions Of Interest were segmented on Mean B0 sequences. FA measurements were obtained with ROI on Mean B0 sequences.
RESULTS: RESOLVE sequence was adapted to the BP. Mean FA was 0.30. Angle measurements on 3D STIR SPACE sequences showed increasing values from proximal to distal roots with an ICC of 0.6. Volume measurements on anatomical sequences varied widely from one root to another but no significant difference was shown on laterality.
CONCLUSION: A new and reproducible method for BP exploration was developed using MRI RESOLVE diffusion sequences. Complete mapping was obtained despite low track density imaging resolution. The whole BP was visualized. Extraction of diffusion, volume and angle parameters of the plexus roots, and script creation for image processing was adapted to the healthy BP.
Optimization of microplate-based phenol-sulfuric acid method and application to the multi-sample measurements of cellulose nanofibers
Authors: Ogura Isamu , Sugiyama Miyuki , Tai Rie , Mano Hioroyuki , Matsuzawa Tomohiko 
Published: March 2023

Abstract
The phenol-sulfuric acid (PSA) method is a widely used colorimetric method for determining the total saccharides, which is simple and rapid. Microplate-based PSA methods have been developed to handle a large number of samples and reduce the use of hazardous chemicals. However, the optimal procedures and measurement conditions for this method have not yet been fully established. To address this gap, we investigated the optimal procedure for microplate-based PSA. In addition to glucose (Glc), two types of cellulose nanofibers (CNFs) were also evaluated as they are a new type of nanomaterial, and a technique to quantify the concentration of CNFs is required in their safety assessment. The results showed that the thermal reaction with sulfuric acid before the addition of phenol resulted in a higher coloration than was shown after the addition of phenol. Furthermore, the longer the resting time after shaking with phenol, the greater the coloration and the smaller the variation, with a resting time of 60 min or longer being optimal. Overall, this study demonstrated that the optimized microplate-based PSA method can be used for the multi-sample measurements of CNFs and Glc, with a detection limit of < 8 mg/L. This research provides valuable insights into improving the reliability and efficiency of the PSA method, which can facilitate the analysis of saccharides and other substances in a range of applications.
A Novel Prognostic Signature for Combined T-cell Exhaustion and Mitochondrial Dysfunction in Hepatocellular Carcinoma
Authors: Liu Jie , He Mingang , Liu Ying , Liu Menghan , Wang Hao , Gu Wenchao , Gao Yang , Li ZengJun , Song Haihan 
Published: March 2023

Abstract
Hepatocellular carcinoma (HCC) is a common lethal gastrointestinal cancer worldwide. Despite the involvement of T-cell exhaustion and mitochondrial dysfunction in HCC progression, there are no reliable biomarkers for these processes. In this study, we aimed to develop a gene signature that combines T-cell exhaustion- and mitochondrial dysfunction (TEMD)-related genes to predict HCC prognosis and direct immunotherapy and chemotherapy. Data of 240 and 370 patients were obtained from the International Cancer Genome Consortium database as well as the Cancer Genome Atlas, respectively. Using the R package Consensus ClusterPlus, TEMD-high and -low subtypes were generated based on the differential expression of TEMD-related genes and univariate Cox analysis. A two-gene prognostic signature comprising EZH2 and G6PD was constructed and regarded as an independent predictor of outcome. The TEMD high-risk group had a worse overall survival, higher immune infiltration levels, and higher expression of human leukocyte antigen and immune checkpoints. Tumor stemness indices, immunophenoscores, tumor immune dysfunction and exclusion scores, and half-maximal inhibitory concentrations were also compared for TEMD-based molecular subtypes and risk signature. Furthermore, stratification, nomogram construction, gene set enrichment analysis, and small-molecule drug response prediction were performed based on the TEMD-risk signature. Collectively, the proposed two-gene prognostic signature may help determine HCC prognosis and design individualized treatments.
Identification of potential Akt activators: A ligand and structure-based computational approach
Authors: B Harish kumar , Manandhar Suman , Rathi Ekta , Kabekkodu Shama Prasada , Mehta Chetan H. , Kini Suvarna G. , Ranganath K. Sreedhara 
Published: March 2023

Abstract
The Akt pathway plays an important role in cell metabolism, growth, proliferation, and survival. Akt is the central protein whose phosphorylation controls many downstream pathways. In many diseases like Alzheimer’s, Parkinson, and diabetes, there is downregulation of the Akt pathway. It is proven that the binding of small molecules to the PH domain of Akt facilitates its phosphorylation in the cytoplasm. In the current study, to identify Akt activators, ligand-based approaches like fingerprint-based 2D-QSAR, shape, and pharmacophore-based screening were used, followed by structure-based approaches like docking, MM-GBSA, ADME prediction, and MD simulation. Using the 2D-QSAR activity of the Asinex gold platinum database was predicted, and the top twenty-five molecules found to be active using most models were selected for shape-based and pharmacophore-based screening. Later docking was performed using the PH domain of Akt1 (PDB: 1UNQ), and 197105, 261126, 253878, 256085, and 123435 were selected based on docking score and interaction with Lys 14, Arg 23, Arg 25, Asn 53, and Arg 86. The selected molecules were druggable and formed a stable protein-ligand complex. MD simulations of 261126 and 123435 showed better stability and interaction with key residues. To further investigate the SAR of 261126 and 123435, derivates were downloaded from PubChem, and structure-based approaches were employed. The MD simulation of derivates 12289533, 12785801, 83824832, 102479045, and 6972939 was performed in which 83824832 and 12289533 showed interaction with key residues for a longer duration of time. Therefore, 83824832 and 12289533 may act as Akt activators, and further in-vitro and in-vivo experiments must be performed to support the study.
Evaluation of Lipid composition and growth parameters of cold-adapted microalgae under different conditions
Authors: Rezaei Azar , Cheniany Monireh , Ahmadzadeh Hossein , Vaezi Jamil 
Published: March 2023

Abstract
In the current study, Cheshmeh-Sabz Lake located in northeastern Iran (36°20’N, 59°3’ E) with an average minimum annual temperature of -15˚C was screened to isolate native cold-adapted microalgae strains. Various isolation and purification methods (different freshwater culture media at 5 ºC, liquid serial dilution with streak plate methods, and then fluorescence-activated cell sorting) were used to find dominant cold-adapted microalgae strains. Three cold-adapted microalgae growth parameters (Scenedesmus sp., Ankistrodesmus sp., and Chlorella sp.) were investigated at 8 ºC and 25 ºC. Among isolates, Scenedesmus sp. (dominant in BG-11) had the same and relatively high biomass productivity (~ 0.54 ± 0.001 g L−1 d−1) at low and high temperatures. Fatty acid profile evaluation of three species at 8, 15, and 25 ºC indicated, the highest amount of α-linolenic acid was produced in Scenedesmus sp., and there was no significant difference between the amount of α-linolenic acid at 15 ºC and 25 ºC (10.96 ± 1.5% and 11.07 ± 0.31%, respectively). There were no significant differences between palmitic acid amount at 8, 15, and 25 ºC (41.05 ± 5.2, 38.48 ± 4.25, 39.82 ± 1.58% respectively) in Scenedesmus sp. Based on the results, Scenedesmus sp. is the proper choice for outdoor cultivation in different seasons due to its relatively high biomass productivity and the specific growth rate in low and high temperatures (8, and 25 ºC). In addition, the good ability of polyunsaturated fatty acids production (~27%) and rich in saturated fatty acids at low and high temperatures (~ 66%) makes this species susceptible to work in the biofuels field and feed supplements.
Facile synthesis of paramagnetic Co(II)-hexaborate(2-) based semiorganic complexes: A combined investigation on X-Ray crystal structure, Hirshfield surfaces analysis, optical and magnetic properties
Authors: Karoui Brahim , Maalaoui Ahlem , Duval Sylvain , Rzaigui Mohamed , Akriche Samah 
Published: March 2023

Abstract

Two new paramagnetic hybrid cobalt(II)-hexaborate(2-) based semiorganic complexes; (2A3MP)2[Co{κ3O-B6O7(OH)6}2].2H2O(1) and (2A4MP)2[Co{κ3O-B6O7(OH)6}2].2H2O (2)(2A3MP = 2-amino-3-methylpyridinium, 2A4MP = 2-amino-4-methylpyridinium)have been obtainedand characterized by X-ray diffraction, FT-IR, TG-DTA, optical and magnetic measurements. X-ray diffraction revealed two isostructural lattices with octahedral coordination of Co(II) complexes of bis(κ3O-donor hexaborate(2-)) ligands, [Co{κ3O-B6O7(OH)6}2]2-. The hydrated oxidopolyborate anions are extensively H-bounded to perform 3D-porous supramolecular anionic frameworks. In both 1 and 2 isostructures, 2A3MP and 2A4MP cations are pendant in the created voids of the inorganic frameworks through a set of H-bonds with 8.5 % and 60.5%H…O/O…H inter-contact contributions, respectively for 1 and 2 as confirmed by Hirshfield surfaces analysis. The optical band gap of Co(II) complexes range between 2.72 and 3.13 eV. Both compounds exhibited well-resolved paramagnetic properties with magnetic susceptibility values ranged between 0.9552 and 0.0088 cm3.mol-1, typical of octahedral Co(II) complexes.