bluuebunny/crossref_metadata_2025 huggingface dataset:
Multitask Fine Tuning on Pretrained Language Model for Retrieval-Based Question Answering in Automotive Domain
Authors: Luo Zhiyi , Yan Sirui , Luo Shuyun
Published: June 2023

Retrieval-based question answering in the automotive domain requires a model to comprehend and articulate relevant domain knowledge, accurately understand user intent, and effectively match the required information. Typically, these systems employ an encoder–retriever architecture. However, existing encoders, which rely on pretrained language models, suffer from limited specialization, insufficient awareness of domain knowledge, and biases in user intent understanding. To overcome these limitations, this paper constructs a Chinese corpus specifically tailored for the automotive domain, comprising question–answer pairs, document collections, and multitask annotated data. Subsequently, a pretraining–multitask fine-tuning framework based on masked language models is introduced to integrate domain knowledge as well as enhance semantic representations, thereby yielding benefits for downstream applications. To evaluate system performance, an evaluation dataset is created using ChatGPT, and a novel retrieval task evaluation metric called mean linear window rank (MLWR) is proposed. Experimental results demonstrate that the proposed system (based on BERTbase), achieves accuracies of 77.5% and 84.75% for Hit@1 and Hit@3, respectively, in the automotive domain retrieval-based question-answering task. Additionally, the MLWR reaches 87.71%. Compared to a system utilizing a general encoder, the proposed multitask fine-tuning strategy shows improvements of 12.5%, 12.5%, and 28.16% for Hit@1, Hit@3, and MLWR, respectively. Furthermore, when compared to the best single-task fine-tuning strategy, the enhancements amount to 0.5%, 1.25%, and 0.95% for Hit@1, Hit@3, and MLWR, respectively.
Two-Agent Slack Due-Date Assignment Scheduling with Resource Allocations and Deteriorating Jobs
Authors: Zhang Li-Han , Lv Dan-Yang , Wang Ji-Bo
Published: June 2023

In enterprise management, there are often multiple agents competing for the same products to reduce production cost. On this basis, this paper investigates a two-agent slack due-date single-machine scheduling problem with deteriorating jobs, where the processing time of a job is extended as a function of position-dependent workload, resource allocation and a common deterioration rate. The goal is to find the optimal sequence and resource allocation that minimizes the maximal value of earliness, tardiness, and decision variables of one agent subject to an upper bound on cost value of the second agent. Through theoretical analysis, a polynomial time algorithm with O(N3) time is proposed for the problem, where N is the maximum number of jobs between the two agents.
Finding Debt Cycles: QUBO Formulations for the Maximum Weighted Cycle Problem Solved Using Quantum Annealing
Authors: Künnemann Hendrik , Phillipson Frank
Published: June 2023

The problem of finding the maximum weighted cycle in a directed graph map to solve optimization problems is NP-hard, implying that approaches in classical computing are inefficient. Here, Quantum computing might be a promising alternative. Many current approaches to the quantum computer are based on a Quadratic Unconstrained Binary Optimization (QUBO) problem formulation. This paper develops four different QUBO approaches to this problem. The first two take the starting vertex and the number of vertices used in the cycle as given, while the latter two loosen the second assumption of knowing the size of the cycle. A QUBO formulation is derived for each approach. Further, the number of binary variables required to encode the maximum weighted cycle problem with one or both assumptions for the respective approach is made explicit. The problem is motivated by finding the maximum weighted debt cycle in a debt graph. This paper compares classical computing versus currently available (hybrid) quantum computing approaches for various debt graphs. For the classical part, it investigated the Depth-First-Search (DFS) method and Simulated Annealing. For the (hybrid) quantum approaches, a direct embedding on the quantum annealer and two types of quantum hybrid solvers were utilized. Simulated Annealing and the usage of the hybrid CQM (Constrained Quadratic Model) had promising functionality. The DFS method, direct QPU, and hybrid BQM (Binary Quadratic Model), on the other hand, performed less due to memory issues, surpassing the limit of decision variables and finding the right penalty values, respectively.
Influence of Patient-Reported Outcome Measures by Surgical Versus Conservative Management in Adult Ankle Fractures: A Systematic Review and Meta-Analysis
Authors: Peng Hui , Guo Xiao-Bo , Zhao Jin-Min
Published: June 2023

Background and Objective: This meta-analysis was performed to compare the effectiveness of surgical treatment and conservative treatment in adult ankle fractures. Methods: Pubmed, Embase, and Cochrane-Library databases were searched to retrieve prospective randomized-controlled studies that compared the efficacy of surgical treatment and conservative treatment in adult ankle fractures. The meta package in R language was used to organize and analyze the obtained data. Results: A total of eight studies involving 2081 patients was considered eligible, including 1029 patients receiving surgical treatment and 1052 receiving conservative treatment. This systematic review and meta-analysis was prospectively registered on PROSPERO, and the registration number is CRD42018520164. Olerud and Molander ankle-fracture scores (OMAS) and the health survey 12-item Short-Form (SF-12) were used as main outcome indicators, and the follow-up outcomes were grouped according to the follow-up time. Meta-analysis results showed significantly higher OMAS scores in patients receiving surgical treatment than those with conservative treatment at six months (MD = 1.50, 95% CI: 1.07; 1.93) and over 24 months (MD = 3.10, 95% CI: 2.46; 3.74), while this statistical significance was absent at 12–24 months (MD = 0.08, 95% CI: −5.80; 5.96). At six months and 12 months after treatment, patients receiving surgical treatment exhibited significantly higher SF12-physical results than those receiving conservative treatment (MD = 2.40, 95% CI: 1.89; 2.91). The MD of SF12-mental data at six months after meta-analysis was −0.81 (95% CI: −1.22; 0.39), and the MD of SF12-mental data at 12+ months was −0.81 (95% CI: −1.22; 0.39). There was no significant difference in SF12-mental results between the two treatment methods after six months, but after 12 months, the SF12-mental results of patients receiving surgical treatment were significantly lower than those of conservative treatment. Conclusions: In the treatment of adult ankle fractures, surgical treatment is more efficacious than conservative treatment in improving early and long-term joint function and physical health of patients, but it is associated with long-term adverse mental health.
Impaired Cardiomyocyte Maturation Leading to DCM: A Case Report and Literature Review
Authors: Zhou Letao , Huang Jinglan , Li Hong , Duan Hongyu , Hua Yimin , Guo Yuxuan , Zhou Kaiyu , Li Yifei
Published: June 2023

Background: The maturation of cardiomyocytes is a rapidly evolving area of research within the field of cardiovascular medicine. Understanding the molecular mechanisms underlying cardiomyocyte maturation is essential to advancing our knowledge of the underlying causes of cardiovascular disease. Impaired maturation can lead to the development of cardiomyopathy, particularly dilated cardiomyopathy (DCM). Recent studies have confirmed the involvement of the ACTN2 and RYR2 genes in the maturation process, facilitating the functional maturation of the sarcomere and calcium handling. Defective sarcomere and electrophysiological maturation have been linked to severe forms of cardiomyopathy. This report presents a rare case of DCM with myocardial non-compaction, probably resulting from allelic collapse of both the ACTN2 and RYR2 genes. Case Presentation: The proband in this case was a four-year-old male child who presented with a recurrent and aggressive reduction in activity tolerance, decreased ingestion volume, and profuse sweating. Electrocardiography revealed significant ST-T segment depression (II, III, aVF V3-V6 ST segment depression >0.05 mV with inverted T-waves). Echocardiography showed an enlarged left ventricle and marked myocardial non-compaction. Cardiac magnetic resonance imaging revealed increased left ventricular trabeculae, an enlarged left ventricle, and a reduced ejection fraction. Whole exome sequencing revealed a restricted genomic depletion in the 1q43 region (chr1:236,686,454-237,833,988/Hg38), encompassing the coding genes ACTN2, MTR, and RYR2. The identified variant resulted in heterozygous variations in these three genes, with the ACTN2 g.236,686,454-236,764,631_del and RYR2 g.237,402,134-237,833,988_del variants being the dominant contributors to the induction of cardiomyopathy. The patient was finally diagnosed with DCM and left ventricular myocardial non-compaction. Conclusions: This study reports a rare case of DCM with myocardial non-compaction caused by the allelic collapse of the ACTN2 and RYR2 genes. This case provides the first human validation of the critical role of cardiomyocyte maturation in maintaining cardiac function and stability and confirms the key findings of previous experimental research conducted by our group. This report emphasizes the connection between genes involved in regulating the maturation of cardiomyocytes and the development of cardiomyopathy.
Implementation of a Customized Safety Checklist in Gastrointestinal Endoscopy and the Importance of Team Time Out—A Dual-Center Pilot Study
Authors: Cherciu Harbiyeli Irina Florina , Burtea Daniela Elena , Serbanescu Mircea-Sebastian , Nicolau Carmen Daniela , Saftoiu Adrian
Published: June 2023

Background and Objectives: Checking and correctly preparing the patient for endoscopic procedures is a mandatory step for the safety and quality of the interventions. The aim of this paper is to emphasize the importance and necessity of a “team time out” as well as the implementation of a customized “checklist” before the actual procedure. Material and Methods: We developed and implemented a checklist for the safe conduct of endoscopies and for the entire team to thoroughly know about the patient’s medical history. The subjects of this study were 15 physicians and 8 endoscopy nurses who performed overall 572 consecutive GI endoscopic procedures during the study period. Results: This is a prospective pilot study performed in the endoscopy unit of two tertiary referral medical centers. We customized a safety checklist that includes the steps to be followed before, during and after the examination. It brings together the whole team participating in the procedure in order to check the key points during the following three vital phases: before the patient falls asleep, before the endoscope is inserted and before the team leaves the examination room. The perception of team communication and teamwork was improved after the introduction of the checklist. The checklist completion rates, identity verification rates of patients by the endoscopist, adequate histological labeling management and explicit recording of follow-up recommendations are some of the parameters that improved post-intervention. Conclusions: Using a checklist and adapting it to local conditions is a high-level recommendation of the Romanian Ministry of Health. In a medical world where safety and quality are essential, a checklist could prevent medical errors, and team time out can ensure high-quality endoscopy, enhance teamwork and offer patients confidence in the medical team.
Congenital Isolated Unilateral Agenesis of Pulmonary Arteries with 3-Year Follow-Up after Initiation of Treatment
Authors: Nakata Marohito , Yokota Naoko , Uehara Hiroki , Tabata Kazuiko , Kenzaka Tsuneaki
Published: June 2023

Background and objective: Unilateral agenesis of pulmonary arteries (UAPA) is a rare disease, with approximately 400 cases reported to date. UAPA is often associated with congenital heart disease, and the uncomplicated form is isolated UAPA, which accounts for approximately 30% of all cases of UAPA. The incidence of pulmonary hypertension due to UAPA has been reported to range from 19 to 44%. There is no consensus treatment for pulmonary hypertension associated with UAPA. We present the first reported case in which a three-drug combination, comprising of iloprost inhalation, riociguat, and ambrisentan, was administered to a patient with UAPA, and was followed-up for 3 years post-diagnosis. Case presentation: A 68-year-old Japanese woman presented to our hospital with dyspnea and chest discomfort. She underwent chest radiography, blood tests, and echocardiography; however, the cause of the patient’s symptoms could not be identified. During regular follow-up, an echocardiography 21 months after the initial visit revealed elevated right ventricular pressure (peak tricuspid regurgitation velocity: 5.2 m/s and right ventricular systolic pressure: 120 mmHg) and a diagnosis of pulmonary hypertension was made. Contrast-enhanced computed tomography (CT) of the chest and a pulmonary blood flow scintigram were performed to investigate the cause of pulmonary hypertension, and isolated UAPA was diagnosed. The patient was treated with a three-drug combination of iloprost inhalation, riociguat, and ambrisentan and followed up for 3 years with good therapeutic outcomes. Conclusions: We present a case of pulmonary hypertension caused by isolated UAPA. Although rare, this disease can lead to pulmonary hypertension and should be treated cautiously. While there is no consensus regarding the treatment of this disease, a three-drug combination of iloprost inhalation, riociguat, and oral ambrisentan proved effective.
Processing of Al/SiC/Gr Hybrid Composite on EDM by Different Electrode Materials Using RSM-COPRAS Approach
Authors: Abbas Adel T. , Sharma Neeraj , Alsuhaibani Zeyad A. , Sharma Vishal S. , Soliman Mahmoud S. , Sharma Rakesh Chandmal
Published: June 2023

The present research used the stir-casting method to develop an Al-based composite. The developed composite exhibited challenges while being processed on conventional machining. Thus, a non-traditional machining process was opted to process the composite. The machining variables selected for the current research were the pulse off time (Toff), pulse on time (Ton), servo voltage (SV), current (I), and tool electrode. Three tool electrodes (SS-304, copper, and brass) were used to process the developed composite (Al/SiC/Gr). The experimental plan was designed using response surface methodology (RSM). The output responses recorded for the analysis were the material removal rate (MRR) and tool wear rate (TWR). The obtained data was optimized using complex proportional assessment (COPRAS) and machine learning methods. The optimized settings predicted by the RSM–COPRAS method were Ton: 60 µs; Toff: 60 µs; SV: 7 V; I: 12 A; and tool: brass. The maximum MRR and TWR at the suggested settings were 1.11 g/s and 0.0114 g/s, respectively. A morphological investigation of the machined surface and tool surface was conducted with scanning electron microscopy. The morphological examination of the surface (machined) presented the presence of cracks, lumps, etc.
The Effects of Post-Welding Heat Treatment on the Cryogenic Absorbed Energy of High Manganese Steel Weld Metal
Authors: Baek Seungho , Park Minha , Lee Je In , Kim Sung-Hwan
Published: June 2023

In this study, a post-weld heat treatment (PWHT) was proposed at high temperatures of 600 °C, 750 °C, and 900 °C for 30 min to significantly improve the impact absorbed energy of high manganese steel weld metal. Electron backscatter diffraction (EBSD), electron probe microanalysis (EPMA), and high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) were employed to characterize the production and study the deformation mechanisms in the high manganese steel weld metal. The impact absorbed energy is divided into crack initiation energy and crack propagation energy, which are divided by the value of Pmax. The cryogenic impact absorbed energy was 81 J. After PWHT at 600 °C, 750 °C, and 900 °C, it was 75 J, 69 J, and 88 J, respectively. The impact absorbed energies did not follow a proportional relationship with the PWHT temperatures. The increase in impact absorbed energy can be attributed to the narrowing of the dendritic region, which blocks the crack propagation path and efficiently prevents crack propagation. Conversely, the decrease in impact absorbed energy can be attributed to the presence of 100-nm-sized (Cr, Mn)23C6-type carbides at the grain boundaries, which facilitate crack propagation.
Research on the Formation, Microstructure, and Properties of 304 Stainless Steel AC-DC Hybrid TIG Welding
Authors: Ye Ying , Yang Bairu , Yang Yonghui , Pan Zihan , Chen Chao , Zhang Xinlong
Published: June 2023

In this work, a new welding method, AC-DC hybrid TIG welding, is used to weld 304 stainless steel. Research on the formation, microstructure, and properties of 304 stainless-steel welded joints are studied by using optical microscope and microhardness. The results show that the weld with AC/DC hybrid welding is a fish-scale pattern, and the density of the fish-scale pattern increases with the increase of AC proportion. Both the weld penetration and the ratio of weld penetration to weld width are the highest when AC accounts for 30%. At this point, the weld penetration is 0.83 mm larger than DC mode, an increase of 93.26%, and the ratio of weld penetration to weld width is 1.6, which is 76.19% higher than DC mode. When the proportion of AC is increased, the microstructure of the weld is equiaxed or columnar, and the microstructure of the heat-affected zone is ferrite in the form of lath. The hardness of the weld is greater than that of the base metal, and the hardness of the heat-affected zone is the lowest. The microhardness distribution of the weld with AC 50% is the most uniform. When AC accounts for 20% and 30%, the average weld hardness is the highest, which are 196.7 HV and 198.1 HV, respectively.
Metabolic-Associated Fatty Liver Disease and Insulin Resistance: A Review of Complex Interlinks
Authors: Barber Thomas M. , Kabisch Stefan , Pfeiffer Andreas F. H. , Weickert Martin O.
Published: June 2023

Metabolic-associated fatty liver disease (MAFLD) has now surpassed alcohol excess as the most common cause of chronic liver disease globally, affecting one in four people. Given its prevalence, MAFLD is an important cause of cirrhosis, even though only a small proportion of patients with MAFLD ultimately progress to cirrhosis. MAFLD suffers as a clinical entity due to its insidious and often asymptomatic onset, lack of an accurate and reliable non-invasive diagnostic test, and lack of a bespoke therapy that has been designed and approved for use specifically in MAFLD. MAFLD sits at a crossroads between the gut and the periphery. The development of MAFLD (including activation of the inflammatory cascade) is influenced by gut-related factors that include the gut microbiota and intactness of the gut mucosal wall. The gut microbiota may interact directly with the liver parenchyma (through translocation via the portal vein), or indirectly through the release of metabolic metabolites that include secondary bile acids, trimethylamine, and short-chain fatty acids (such as propionate and acetate). In turn, the liver mediates the metabolic status of peripheral tissues (including insulin sensitivity) through a complex interplay of hepatokines, liver-secreted metabolites, and liver-derived micro RNAs. As such, the liver plays a key central role in influencing overall metabolic status. In this concise review, we provide an overview of the complex mechanisms whereby MAFLD influences the development of insulin resistance within the periphery, and gut-related factors impact on the development of MAFLD. We also discuss lifestyle strategies for optimising metabolic liver health.
Comparison of Robot-Assisted and Manual Cannula Insertion in Simulated Big-Bubble Deep Anterior Lamellar Keratoplasty
Authors: Zhao Yinzheng , Jablonka Anne-Marie , Maierhofer Niklas A. , Roodaki Hessam , Eslami Abouzar , Maier Mathias , Nasseri Mohammad Ali , Zapp Daniel
Published: June 2023

This study aimed to compare the efficacy of robot-assisted and manual cannula insertion in simulated big-bubble deep anterior lamellar keratoplasty (DALK). Novice surgeons with no prior experience in performing DALK were trained to perform the procedure using manual or robot-assisted techniques. The results showed that both methods could generate an airtight tunnel in the porcine cornea, and result in successful generation of a deep stromal demarcation plane representing sufficient depth reached for big-bubble generation in most cases. However, the combination of intraoperative OCT and robotic assistance received a significant increase in the depth of achieved detachment in non-perforated cases, comprising a mean of 89% as opposed to 85% of the cornea in manual trials. This research suggests that robot-assisted DALK may offer certain advantages over manual techniques, particularly when used in conjunction with intraoperative OCT.
Data Analyses of Quarry Operations and Maintenance Schedules: A Production Optimization Study
Authors: George Brennan , Nojabaei Bahareh
Published: June 2023

In this research, data analytics and machine learning were used to identify the performance metrics of loaders and haul trucks during mining operations. We used real-time collected data from loaders and haul trucks operating in multiple quarries to broaden the scope of the study and remove bias. Our model indicates relationships between multiple variables and their impacts on production in an operation. Data analysis was also applied to ground engagement tools (GET) to identify key preventative maintenance schedules to minimize production impact from capital equipment downtime. Through analysis of the loader’s data, it was found there is an efficient cycle time of around 35 s to 40 s, which yielded a higher payload. The decision tree classifier algorithm created a model that was 87.99% accurate in estimating the performance of a loader based on a full analysis of the data. Based on the distribution of production variables across each type of loader performing in a similar work environment, the Caterpillar 992K and 990K were the highest-yielding machines. Production efficiency was compared before and after maintenance periods of ground engaging tools on loader buckets. With the use of maintenance and production records for these tools, it was concluded that there was no distinguishable change in average production and percentage change in production value before and after maintenance days.
Modeling the Global Annual Carbon Footprint for the Transportation Sector and a Path to Sustainability
Authors: Mittal Vikram , Shah Rajesh
Published: June 2023

The transportation industry’s transition to carbon neutrality is essential for addressing sustainability concerns. This study details a model for calculating the carbon footprint of the transportation sector as it progresses towards carbon neutrality. The model aims to support policymakers in estimating the potential impact of various decisions regarding transportation technology and infrastructure. It accounts for energy demand, technological advancements, and infrastructure upgrades as they relate to each transportation market: passenger vehicles, commercial vehicles, aircraft, watercraft, and trains. A technology roadmap underlies this model, outlining anticipated advancements in batteries, hydrogen storage, biofuels, renewable grid electricity, and carbon capture and sequestration. By estimating the demand and the technologies that comprise each transportation market, the model estimates carbon emissions. Results indicate that based on the technology roadmap, carbon neutrality can be achieved by 2070 for the transportation sector. Furthermore, the model found that carbon neutrality can still be achieved with slippage in the technology development schedule; however, delays in infrastructure updates will delay carbon neutrality, while resulting in a substantial increase in the cumulative carbon footprint of the transportation sector.
Characterization, Recombinant Production, and Bioactivity of a Novel Immunomodulatory Protein from Hypsizygus marmoreus
Authors: Yu Shuhui , Wang Ying , Wu Yingying , Bao Dapeng , Bing Wei , Li Yan , Chen Hongyu
Published: June 2023

A novel fungal immunomodulatory protein (FIP), identified as FIP-hma, was discovered in the genome of an edible mushroom Hypsizygus marmoreus. Bioinformatics analysis suggested FIP-hma contained the cerato-platanin (CP) conserved domain and was categorized into Cerato-type FIP. In phylogenetic analysis, FIP-hma was clustered into a new branch of the FIP family, displaying large system divergence from most of the other FIPs. The higher gene expression of FIP-hma was observed during the vegetative growth stages than that during the reproductive growth stages. In addition, the cDNA sequence of FIP-hma was cloned and successfully expressed in Escherichia coli (E. coli) BL21(DE3). The recombinant protein of FIP-hma (rFIP-hma) was neatly purified and isolated by Ni-NTA and SUMO-Protease. The iNOS, IL-6, IL-1β, and TNF-α levels of RAW 264.7 macrophages were upregulated by rFIP-hma, indicating its activation of an immune response by regulating central cytokines. No cytotoxic effects were observed in an MTT test. The findings of this work discovered a novel immunoregulatory protein from H. marmoreus, provided a systematic bioinformatic profile, suggested an effective approach for its heterologous recombinant production, and reported its potent immunoregulatory activity in macrophages. This study sheds light on the physiological function research of FIPs and their further industrial utilization.
In Vitro and In Silico Evaluation of Anticholinesterase and Antidiabetic Effects of Furanolabdanes and Other Constituents from Graptophyllum pictum (Linn.) Griffith
Authors: Metiefeng Nathalie Tanko , Tamfu Alfred Ngenge , Fotsing Tagatsing Maurice , Tabopda Turibio Kuiate , Kucukaydin Selcuk , Noah Mbane Martin , de Theodore Atchade Alex , Talla Emmanuel , Henoumont Celine , Laurent Sophie , Anouar El Hassane , Dinica Rodica Mihaela
Published: June 2023

Graptophyllum pictum is a tropical plant noticeable for its variegated leaves and exploited for various medicinal purposes. In this study, seven compounds, including three furanolabdane diterpenoids, i.e., Hypopurin E, Hypopurin A and Hypopurin B, as well as with Lupeol, β-sitosterol 3-O-β-d-glucopyranoside, stigmasterol 3-O-β-d-glucopyranoside and a mixture of β-sitosterol and stigmasterol, were isolated from G. pictum, and their structures were deduced from ESI-TOF-MS, HR-ESI-TOF-MS, 1D and 2D NMR experiments. The compounds were evaluated for their anticholinesterase activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BchE), as well as their antidiabetic potential through inhibition of α-glucosidase and α-amylase. For AChE inhibition, no sample had IC50 within tested concentrations, though the most potent was Hypopurin A, which had a percentage inhibition of 40.18 ± 0.75%, compared to 85.91 ± 0.58% for galantamine, at 100 µg/mL. BChE was more susceptible to the leaves extract (IC50 = 58.21 ± 0.65 µg/mL), stem extract (IC50 = 67.05 ± 0.82 µg/mL), Hypopurin A (IC50 = 58.00 ± 0.90 µg/mL), Hypopurin B (IC50 = 67.05 ± 0.92 µg/mL) and Hypopurin E (IC50 = 86.90 ± 0.76 µg/mL). In the antidiabetic assay, the furanolabdane diterpenoids, lupeol and the extracts had moderate to good activities. Against α-glucosidase, lupeol, Hypopurin E, Hypopurin A and Hypopurin B had appreciable activities but the leaves (IC50 = 48.90 ± 0.17 µg/mL) and stem (IC50 = 45.61 ± 0.56 µg/mL) extracts were more active than the pure compounds. In the α-amylase assay, stem extract (IC50 = 64.47 ± 0.78 µg/mL), Hypopurin A (IC50 = 60.68 ± 0.55 µg/mL) and Hypopurin B (IC50 = 69.51 ± 1.30 µg/mL) had moderate activities compared to the standard acarbose (IC50 = 32.25 ± 0.36 µg/mL). Molecular docking was performed to determine the binding modes and free binding energies of Hypopurin E, Hypopurin A and Hypopurin B in relation to the enzymes and decipher the structure–activity relationship. The results indicated that G. pictum and its compounds could, in general, be used in the development of therapies for Alzheimer’s disease and diabetes.
Bracelet-like Complexes of Lithium Fluoride with Aromatic Tetraamides, and Their Potential for LiF-Mediated Self-Assembly: A DFT Study
Authors: Parra Rubén D.
Published: June 2023

Geometries and binding energies of complexes between a LiF molecule and a model aromatic tetraamide are obtained using various DFT methods. The tetraamide consists of a benzene ring and four amides positioned so that the LiF molecule can bind via Li⋯O=C or N-H⋯F interactions. The complex with both interactions is the most stable one, followed by the complex with only N-H⋯F interactions. Doubling the size of the former resulted in a complex with a LiF dimer sandwiched between the model tetraamides. In turn, doubling the size of the latter resulted in a more stable tetramer with bracelet-like geometry having the two LiF molecules also sandwiched but far apart from each other. Additionally, all methods show that the energy barrier to transition to the more stable tetramer is small. The self-assembly of the bracelet-like complex mediated by the interactions of adjacent LiF molecules is demonstrated by all computational methods employed.
Improving Cycle Life of Zinc–Air Batteries with Calcium Ion Additive in Electrolyte or Separator
Authors: Zhang Donghao , Hu Wenbin
Published: June 2023

The electrolyte carbonation and the resulting air electrode plugging are the primary factors limiting the cycle life of aqueous alkaline zinc–air batteries (ZABs). In this work, calcium ion (Ca2+) additives were introduced into the electrolyte and the separator to resolve the above issues. Galvanostatic charge–discharge cycle tests were carried out to verify the effect of Ca2+ on electrolyte carbonation. With the modified electrolyte and separator, the cycle life of ZABs was improved by 22.2% and 24.7%, respectively. Ca2+ was introduced into the ZAB system to preferentially react with CO32− rather than K+ and then precipitated granular CaCO3 prior to K2CO3, which was deposited on the surface of the Zn anode and air cathode to form a flower-like CaCO3 layer, thereby prolonging its cycle life.
Morphology and Dynamics in Hydrated Graphene Oxide/Branched Poly(ethyleneimine) Nanocomposites: An In Silico Investigation
Authors: Rissanou Anastassia , Konstantinou Apostolos , Karatasos Kostas
Published: June 2023

Graphene oxide (GO)—branched poly(ethyleneimine) (BPEI) hydrated mixtures were studied by means of fully atomistic molecular dynamics simulations to assess the effects of the size of polymers and the composition on the morphology of the complexes, the energetics of the systems and the dynamics of water and ions within composites. The presence of cationic polymers of both generations hindered the formation of stacked GO conformations, leading to a disordered porous structure. The smaller polymer was found to be more efficient at separating the GO flakes due to its more efficient packing. The variation in the relative content of the polymeric and the GO moieties provided indications for the existence of an optimal composition in which interaction between the two components was more favorable, implying more stable structures. The large number of hydrogen-bonding donors afforded by the branched molecules resulted in a preferential association with water and hindered its access to the surface of the GO flakes, particularly in polymer-rich systems. The mapping of water translational dynamics revealed the existence of populations with distinctly different mobilities, depending upon the state of their association. The average rate of water transport was found to depend sensitively on the mobility of the freely to move molecules, which was varied strongly with composition. The rate of ionic transport was found to be very limited below a threshold in terms of polymer content. Both, water diffusivity and ionic transport were enhanced in the systems with the larger branched polymers, particularly with a lower polymer content, due to the higher availability of free volume for the respective moieties. The detail afforded in the present work provides a new insight for the fabrication of BPEI/GO composites with a controlled microstructure, enhanced stability and adjustable water transport and ionic mobility.
Multiple Metabolites Derived from Mushrooms and Their Beneficial Effect on Alzheimer’s Diseases
Authors: Tong Zijian , Chu Guodong , Wan Chenmeng , Wang Qiaoyu , Yang Jialing , Meng Zhaoli , Du Linna , Yang Jing , Ma Hongxia
Published: June 2023

Mushrooms with edible and medicinal potential have received widespread attention because of their diverse biological functions, nutritional value, and delicious taste, which are closely related to their rich active components. To date, many bioactive substances have been identified and purified from mushrooms, including proteins, carbohydrates, phenols, and vitamins. More importantly, molecules derived from mushrooms show great potential to alleviate the pathological manifestations of Alzheimer’s disease (AD), which seriously affects the health of elderly people. Compared with current therapeutic strategies aimed at symptomatic improvement, it is particularly important to identify natural products from resource-rich mushrooms that can modify the progression of AD. This review summarizes recent investigations of multiple constituents (carbohydrates, peptides, phenols, etc.) isolated from mushrooms to combat AD. In addition, the underlying molecular mechanisms of mushroom metabolites against AD are discussed. The various mechanisms involved in the antiAD activities of mushroom metabolites include antioxidant and anti-neuroinflammatory effects, apoptosis inhibition, and stimulation of neurite outgrowth, etc. This information will facilitate the application of mushroom-derived products in the treatment of AD. However, isolation of new metabolites from multiple types of mushrooms and further in vivo exploration of the molecular mechanisms underlying their antiAD effect are still required.
New Pieces for an Old Puzzle: Approaching Parkinson’s Disease from Translatable Animal Models, Gut Microbiota Modulation, and Lipidomics
Authors: Ortega Moreno Lorena , Bagues Ana , Martínez Vicente , Abalo Raquel
Published: June 2023

Parkinson’s disease (PD) is a severe neurodegenerative disease characterized by disabling motor alterations that are diagnosed at a relatively late stage in its development, and non-motor symptoms, including those affecting the gastrointestinal tract (mainly constipation), which start much earlier than the motor symptoms. Remarkably, current treatments only reduce motor symptoms, not without important drawbacks (relatively low efficiency and impactful side effects). Thus, new approaches are needed to halt PD progression and, possibly, to prevent its development, including new therapeutic strategies that target PD etiopathogeny and new biomarkers. Our aim was to review some of these new approaches. Although PD is complex and heterogeneous, compelling evidence suggests it might have a gastrointestinal origin, at least in a significant number of patients, and findings in recently developed animal models strongly support this hypothesis. Furthermore, the modulation of the gut microbiome, mainly through probiotics, is being tested to improve motor and non-motor symptoms and even to prevent PD. Finally, lipidomics has emerged as a useful tool to identify lipid biomarkers that may help analyze PD progression and treatment efficacy in a personalized manner, although, as of today, it has only scarcely been applied to monitor gut motility, dysbiosis, and probiotic effects in PD. Altogether, these new pieces should be helpful in solving the old puzzle of PD.
From Listing to Recovery: A Review of Nutritional Status Assessment and Management in Liver Transplant Patients
Authors: Ravaioli Federico , De Maria Nicola , Di Marco Lorenza , Pivetti Alessandra , Casciola Riccardo , Ceraso Carlo , Frassanito Gabriella , Pambianco Martina , Pecchini Maddalena , Sicuro Chiara , Leoni Laura , Di Sandro Stefano , Magistri Paolo , Menozzi Renata , Di Benedetto Fabrizio , Colecchia Antonio
Published: June 2023

Liver transplantation (LT) is a complex surgical procedure requiring thorough pre- and post-operative planning and care. The nutritional status of the patient before, during, and after LT is crucial to surgical success and long-term prognosis. This review aims to assess nutritional status assessment and management before, during, and after LT, with a focus on patients who have undergone bariatric surgery. We performed a comprehensive topic search on MEDLINE, Ovid, In-Process, Cochrane Library, EMBASE, and PubMed up to March 2023. It identifies key factors influencing the nutritional status of liver transplant patients, such as pre-existing malnutrition, the type and severity of liver disease, comorbidities, and immunosuppressive medications. The review highlights the importance of pre-operative nutritional assessment and intervention, close nutritional status monitoring, individualised nutrition care plans, and ongoing nutritional support and monitoring after LT. The review concludes by examining the effect of bariatric surgery on the nutritional status of liver transplant recipients. The review offers valuable insights into the challenges and opportunities for optimising nutritional status before, during, and after LT.
Comparative Microbial Community Analysis of Fur Seals and Aquaculture Salmon Gut Microbiomes in Tasmania
Authors: D’Agnese Erin , McLaughlin Ryan J. , Lea Mary-Anne , Soto Esteban , Smith Woutrina A. , Bowman John P.
Published: June 2023

In Tasmania, Australian fur seals (Arctocephalus pusillus doriferus) regularly interact with Atlantic salmon (Salmo salmar L.) aquaculture lease operations and opportunistically consume fish. The microbial communities of seals and aquaculture salmon were analyzed for potential indicators of microbial sharing and to determine the potential effects of interactions on wild seal microbiome composition. The high-throughput sequencing of the V1–V3 region of the 16S rRNA genes from the gut microbial communities of 221 fur seals was performed: 41 males caught at farms, 50 adult scats from haul-outs near farms, 24 necropsied seals, and controls from Bass Strait breeding colonies, encompassing 56 adult scats and 50 pup swabs. QIIME2 and R Studio were used for analysis. Foraging at or near salmon farms significantly shifted seal microbiome biodiversity. Taxonomic analysis showed a greater divergence in Bacteroidota representatives in male seals captured at farms compared to all other groups. Pathogens were identified that could be monitoring targets. Potential indicator amplicon sequence variants were found across a variety of taxa and could be used as minimally invasive indicators for interactions at this interface. The diversity and taxonomic shifts in the microbial communities of seals indicate a need to further study this interface for broader ecological implications.
Elevated Levels of Serum Biomarkers Associated with Damage to the CNS Neurons and Endothelial Cells Are Linked with Changes in Brain Connectivity in Breast Cancer Patients with Vestibulo-Atactic Syndrome
Authors: Nikolaeva Alexandra , Pospelova Maria , Krasnikova Varvara , Makhanova Albina , Tonyan Samvel , Krasnopeev Yurii , Kayumova Evgeniya , Vasilieva Elena , Efimtsev Aleksandr , Levchuk Anatoliy , Trufanov Gennadiy , Voynov Mark , Shevtsov Maxim
Published: June 2023

Vestibulo-atactic syndrome (VAS), which represents a combination of motor and vestibular disorders, can be manifested as a clinical complication of breast cancer treatment and has a significant impact on patients’ quality of life. The identification of novel potential biomarkers that might help to predict the onset of VAS and its progression could improve the management of this group of patients. In the current study, the levels of intercellular cell adhesion molecule 1 (ICAM-1), platelet/endothelial cell adhesion molecule 1 (PECAM-1), NSE (neuron-specific enolase), and the antibodies recognizing NR-2 subunit of NMDA receptor (NR-2-ab) were measured in the blood serum of BC survivor patients with vestibulo-atactic syndrome (VAS) and associated with the brain connectome data obtained via functional magnetic resonance imaging (fMRI) studies. A total of 21 patients were registered in this open, single-center trial and compared to age-matched healthy female volunteers (control group) (n = 17). BC patients with VAS demonstrated higher serum levels of ICAM-1, PECAM-1, and NSE and a lower value of NR-2-ab, with values of 654.7 ± 184.8, 115.3 ± 37.03, 49.9 ± 103.9, and 0.5 ± 0.3 pg/mL, respectively, as compared to the healthy volunteers, with 230.2 ± 44.8, 62.8 ± 15.6, 15.5 ± 6.4, and 1.4 ± 0.7 pg/mL. According to the fMRI data (employing seed-to-voxel and ROI-to-ROI methods), in BC patients with VAS, significant changes were detected in the functional connectivity in the areas involved in the regulation of postural-tonic reflexes, the coordination of movements, and the regulation of balance. In conclusion, the detected elevated levels of serum biomarkers may reveal damage to the CNS neurons and endothelial cells that is, in turn, associated with the change in the brain connectivity in this group of patients.
Phenothiazine- and Carbazole-Cyanochalcones as Dual Inhibitors of Tubulin Polymerization and Human Farnesyltransferase
Authors: Zubaș Andreea , Ghinet Alina , Farce Amaury , Dubois Joëlle , Bîcu Elena
Published: June 2023

In the search for innovative approaches to cancer chemotherapy, a chemical library of 49 cyanochalcones, 1a-r, 2a-o, and 3a-p, was designed as dual inhibitors of human farnesyltransferase (FTIs) and tubulin polymerization (MTIs) (FTIs/MTIs), two important biological targets in oncology. This approach is innovative since the same molecule would be able to interfere with two different mitotic events of the cancer cells and prevent these cells from developing an emergency route and becoming resistant to anticancer agents. Compounds were synthesized by the Claisen–Schmidt condensation of aldehydes with N-3-oxo-propanenitriles under classical magnetic stirring and under sonication. Newly synthesized compounds were screened for their potential to inhibit human farnesyltransferase, tubulin polymerization, and cancer cell growth in vitro. This study allowed for the identification of 22 FTIs and 8 dual FTIs/MTIs inhibitors. The most effective molecule was carbazole-cyanochalcone 3a, bearing a 4-dimethylaminophenyl group (IC50 (h-FTase) = 0.12 µM; IC50 (tubulin) = 0.24 µM) with better antitubulin activity than the known inhibitors that were previously reported, phenstatin and (-)-desoxypodophyllotoxin. The docking of the dual inhibitors was realized in both the active site of FTase and in the colchicine binding site of tubulin. Such compounds with a dual inhibitory profile are excellent clinical candidates for the treatment of human cancers and offer new research perspectives in the search for new anti-cancer drugs.
Assessing Quantum Calculation Methods for the Account of Ligand Field in Lanthanide Compounds
Authors: Toader Ana Maria , Frecus Bogdan , Oprea Corneliu Ioan , Buta Maria Cristina
Published: June 2023

We obtained thorough insight into the capabilities of various computational methods to account for the ligand field (LF) regime in lanthanide compounds, namely, a weakly perturbed ionic body and quasidegenerate orbital multiplets. The LF version of the angular overlap model (AOM) was considered. We intentionally took very simple idealized systems, the hypothetical [TbF]2+, [TbF2]+ and [Tb(O2NO)]2+, in order to explore the details overlooked in applications on complex realistic systems. We examined the 4f and 5d orbital functions in connection to f–f and f–d transitions in the frame of the two large classes of quantum chemical methods: wave function theory (WFT) and density functional theory (DFT). WFT methods are better suited to the LF paradigm. In lanthanide compounds, DFT faces intrinsic limitations because of the frequent occurrence of quasidegenerate ground states. Such difficulties can be partly encompassed by the nonstandard control of orbital occupation schemes. Surprisingly, we found that the simplest crystal field electrostatic approximation, reconsidered with modern basis sets, works well for LF parameters in ionic lanthanide systems. We debated the largely overlooked holohedrization effect that inserts artificial inversion symmetry into standard LF Hamiltonians.
The Protective Role of Cranberries and Blueberries in Oral Cancer
Authors: Esquivel-Chirino César , Bolaños-Carrillo Mario Augusto , Carmona-Ruiz Daniela , Lopéz-Macay Ambar , Hernández-Sánchez Fernando , Montés-Sánchez Delina , Escuadra-Landeros Montserrat , Gaitán-Cepeda Luis Alberto , Maldonado-Frías Silvia , Yáñez-Ocampo Beatriz Raquel , Ventura-Gallegos José Luis , Laparra-Escareño Hugo , Mejía-Velázquez Claudia Patricia , Zentella-Dehesa Alejandro
Published: June 2023

Background: Oral cancer has a high prevalence worldwide, and this disease is caused by genetic, immunological, and environmental factors. The main risk factors associated with oral cancer are smoking and alcohol. Results: There are various strategies to reduce risk factors, including prevention programs as well as the consumption of an adequate diet that includes phytochemical compounds derived from cranberries (Vaccinium macrocarpon A.) and blueberries (Vaccinium corymbosum L.); these compounds exhibit antitumor properties. Results: The main outcome of this review is as follows: the properties of phytochemicals derived from cranberries were evaluated for protection against risk factors associated with oral cancer. Conclusions: The secondary metabolites of cranberries promote biological effects that provide protection against smoking and alcoholism. An alternative for the prevention of oral cancer can be the consumption of these cranberries and blueberries.
Genome-Wide Analysis of ZAT Gene Family in Osmanthus fragrans and the Function Exploration of OfZAT35 in Cold Stress
Authors: Ding Huifen , Yang Zhandong , Zai Zhouying , Feng Keyi , Wang Lianggui , Yue Yuanzheng , Yang Xiulian
Published: June 2023

Osmanthus fragrans is a popular ornamental and odorant plant with high commercial value, but its cultivation and exploitation are limited by low temperature. The ZAT (zinc finger of Arabidopsis thaliana) genes as a subclass of the C2H2-type zinc finger proteins (C2H2-ZFP) family play essential roles in various abiotic stresses. However, their roles in cold stress response in O. fragrans remain unclear. This study identified 38 OfZATs, which could be divided into 5 subgroups based on the phylogenetic tree, with OfZATs in the same subgroup harboring similar gene structures and motif patterns. In addition, 49 segmental and 5 tandem duplication events were detected among OfZAT genes, while some OfZAT genes exhibited specific expression patterns in different tissues. Furthermore, two OfZATs were induced in salt stress and eight OfZATs responded to cold stress. Interestingly, OfZAT35 showed a continuously increasing expression trend under cold stress, while its protein showed nucleus localization with no transcriptional activation activity. Transiently transformed tobacco overexpressing OfZAT35 exhibited a significantly higher relative electrolyte leakage (REL) level and increased activities of superoxide dismutase (SOD), peroxidase (POD), and Ascorbate peroxidase (APX), while there was significantly decreased activity of catalase (CAT). Moreover, CAT, DREB3, and LEA5, which are associated with cold stress, were dramatically decreased after cold treatment in transiently transformed tobacco, suggesting that overexpression of OfZAT35 negatively regulated cold stress. This study provides a basis for exploring the roles of ZAT genes and contributes to uncovering the mechanism of ZAT-mediated cold stress response in O. fragrans.