bluuebunny/crossref_metadata_2025 huggingface dataset:
Home-Based Exercise Training and Cardiac Autonomic Neuropathy in Kidney Transplant Recipients with Type-II Diabetes Mellitus
Authors: Michou Vassiliki , Nikodimopoulou Maria , Liakopoulos Vassilios , Anifanti Maria , Papagianni Aikaterini , Zembekakis Pantelis , Deligiannis Asterios , Kouidi Evangelia
Published: June 2023

This randomized clinical trial aimed to examine the effects of a 6-month home-based, combined exercise training program on Cardiac Autonomic Neuropathy (CAN) in kidney transplant recipients (KTRs) with diabetes. Twenty-five KTRs (19 men (76.0%), with a mean age of 54.4 ± 11.3 years old, CAN and type II Diabetes Mellitus (DM-II)), were randomly assigned into two groups: A (n1 = 13 KTRs), who underwent a home-based exercise training program for 6 months, and B (n2 = 12 KTRs), who were assessed at the end of the study. A cardiopulmonary exercise testing (CPET), sit-to-stand test in 30 s (30-s STS), isokinetic muscle strength dynamometry, and 24-h electrocardiographic monitoring were applied to all participants, both at the baseline and at the end of the clinical trial. At first, there were no statistically significant differences between groups. After 6 months, group A showed higher values in exercise time by 8.7% (p = 0.02), VO2peak by 7.3% (p < 0.05), 30-s STS by 12.0% (p < 0.05), upper limb strength by 46.1% (p < 0.05), and lower limb strength by 24.6% (p = 0.02), respectively, compared to the B group. Furthermore, inter-group changes at the end of the 6-month study indicated that group A statistically increased the standard deviation of R-R intervals (SDNN) by 30.3% (p = 0.01), root mean square of successive differences between normal heartbeats (rMSSD) by 32.0% (p = 0.03), number of pairs of successive NN (R-R) intervals that differ by more than 50 ms (pNN50) by 29.0% (p = 0.04), high frequency (HF (ms2)) by 21.6% (p < 0.05), HF (n.u.) by 48.5% (p = 0.01), and turbulence slope (TS) by 22.5% (p = 0.02), and decreased the low frequency (LF (ms2)) by 13.2% (p = 0.01), LF (n.u.) by 24.9% (p = 0.04), and LF/HF ratio by 24% (p = 0.01), compared to group B. Linear regression analysis after the 6-month study showed that there was a strong positive correlation between VO2peak and SDNN (r = 0.701, p < 0.05) in group A. Moreover, multiple regression analysis showed that KTRs’ participation in the exercise program showed favorable modifications to sympathovagal balance and aerobic capacity, as measured with SDNN and VO2peak, respectively. To summarize, diabetic KTRs’ cardiac autonomic function and functional capacity can be improved after a home-based long-term exercise training program.
The Role of «Novel» Biomarkers of Systemic Inflammation in the Development of Early Hospital Events after Aortic Valve Replacement in Patients with Aortic Stenosis
Authors: Shvartz Vladimir , Sokolskaya Maria , Ispiryan Artak , Basieva Madina , Kazanova Polina , Shvartz Elena , Talibova Sayali , Petrosyan Andrey , Kanametov Teymuraz , Donakanyan Sergey , Bockeria Leo , Golukhova Elena
Published: June 2023

Introduction. The pathogenesis of aortic stenosis includes the processes of chronic inflammation, calcification, lipid metabolism disorders, and congenital structural changes. The goal of our study was to determine the predictive value of novel biomarkers of systemic inflammation and some hematological indices based on the numbers of leukocytes and their subtypes in the development of early hospital medical conditions after mechanical aortic valve replacement in patients with aortic stenosis. Materials and methods. This was a cohort study involving 363 patients who underwent surgical intervention for aortic valve pathology between 2014 and 2020. The following markers of systemic inflammation and hematological indices were studied: SIRI (Systemic Inflammation Response Index), SII (Systemic Inflammation Index), AISI (Aggregate Index of Systemic Inflammation), NLR (Neutrophil/Lymphocyte Ratio), PLR (Platelet/Lymphocyte Ratio), and MLR (Monocyte/Lymphocyte Ratio). Associations of the levels of these biomarkers and indices with the development of in-hospital death, acute kidney injury, postoperative atrial fibrillation, stroke/acute cerebrovascular accident, and bleeding were calculated. Results. According to an ROC analysis, an SIRI > 1.5 (p < 0.001), an SII > 718 (p = 0.002), an AISI > 593 (p < 0.001), an NLR > 2.48 (p < 0.001), a PLR > 132 (p = 0.004), and an MLR > 0.332 (p < 0.001) were statistically significantly associated with in-hospital death. Additionally, an SIRI > 1.5 (p < 0.001), an NLR > 2.8 (p < 0.001), and an MLR > 0.392 (p < 0.001) were associated with bleeding in the postoperative period. In a univariate logistic regression, SIRI, SII, AISI, and NLR were statistically significant independent factors associated with in-hospital death. In a multivariate logistic regression model, SIRI was the most powerful marker of systemic inflammation. Conclusion. SIRI, SII, AISI, and NLR as novel biomarkers of systemic inflammation were associated with in-hospital mortality. Of all markers and indices of systemic inflammation in our study, SIRI was the strongest predictor of a poor outcome in the multivariate regression model.
Effectiveness of the Fascial Manipulation Approach Associated with a Physiotherapy Program in Recurrent Shoulder Disease
Authors: Bellotti Silvia , Busato Massimo , Cattaneo Carla , Branchini Mirco
Published: June 2023

Shoulder pain is a serious clinical disease frequently related to absence from work. It is characterized by pain and stiffness, probably connected to the presence of an inflammatory substrate involving gleno-humeral capsule and collagen tissues. A physiotherapy program has shown to be effective for the conservative treatment of this disorder. Our aim is to assess if a manual treatment directed to fascial tissues could obtain better improvement regarding pain, strength, mobility, and function. A total of 94 healthcare workers with recurrent shoulder pain were recruited and then randomized in two groups: the control group (CG) underwent a five-session physiotherapy program; the study group (SG) underwent three sessions of physiotherapy and two sessions of fascial manipulation (FM) technique. At the end of the treatment phase, both groups improved every outcome. Despite few statistical differences between groups, at the follow-up visit, a greater percentage of subjects in SG overcame the minimal clinical important difference (MCID) in every outcome. We conclude that FM is effective for treatment of shoulder pain and further studies should better assess how to manage this treatment to obtain better results.
Color Reproduction by Multi-Wavelength Bragg Diffraction of White Light
Authors: Machikhin Alexander , Beliaeva Alina , Romanova Galina , Ershov Egor
Published: June 2023

Accurate color reproduction is highly important in multiple industrial, biomedical and scientific applications. Versatile and tunable light sources with high color-rendering quality are very much in demand. In this study, we demonstrate the feasibility of multi-wavelength Bragg diffraction of light for this task. Tuning the frequencies and amplitudes of bulk acoustic waves in the birefringent crystal demonstrates high precision in setting the number, wavelengths and intensities of the monochromatic components necessary to reproduce a specific color assigned according to its coordinates in the CIE XYZ 1931 space. We assembled a setup based on multi-bandpass acousto-optic (AO) filtration of white light and verified the reproduced color balance in multiple experiments. The proposed approach delivers almost full coverage of the CIE XYZ 1931 space and facilitates building compact color reproduction systems (CRSs) for various purposes.
Multiaxial Fatigue Analysis of Jacket-Type Offshore Wind Turbine Based on Multi-Scale Finite Element Model
Authors: Peng Mengyao , Liu Min , Gu Shuitao , Nie Shidong
Published: June 2023

The fatigue damage of a local joint is the key factor accounting for the structural failure of a jacket-type offshore wind turbine. Meanwhile, the structure experiences a complex multiaxial stress state under wind and wave random loading. This paper aims to develop a multi-scale modeling method for a jacket-type offshore wind turbine, in which local joints of the jacket are modeled in a detail by using solid elements, and other components are modeled via the common beam element. Considering the multiaxial stress state of the local joint, multi-axial fatigue damage analysis based on the multiaxial S–N curve is performed using equivalent Mises and Lemaitre methods. The uniaxial fatigue damage data of the jacket model calculated using the multi-scale finite element model are compared with those of the conventional beam model. The results show that the tubular joint of jacket leg and brace connections can be modeled using the multi-scale method, since the uniaxial fatigue damage degree can reach a 15% difference. The comparison of uniaxial and multiaxial fatigue results obtained using the multi-scale finite element model shows that the difference can be about 15% larger. It is suggested that the multi-scale finite element model should be used for better accuracy in the multiaxial fatigue analysis of the jacket-type offshore wind turbine under wind and wave random loading.
Harmonic and DC Bias Hysteresis Characteristics Simulation Based on an Improved Preisach Model
Authors: Zhang Changgeng , Li Haoran , Tian Yakun , Li Yongjian , Yang Qingxin
Published: June 2023

Transformers, reactors and other electrical equipment often work under harmonics and DC-bias working conditions. It is necessary to quickly and accurately simulate the hysteresis characteristics of soft magnetic materials under various excitation conditions in order to achieve accurate calculations of core loss and the optimal design of electrical equipment. Based on Preisach hysteresis model, a parameter identification method for asymmetric hysteresis loop simulation is designed and applied to the simulation of hysteresis characteristics under bias conditions of oriented silicon steel sheets. In this paper, the limiting hysteresis loops of oriented silicon steel sheets are obtained through experiments under different working conditions. The first-order reversal curves(FORCs) with asymmetric characteristics is generated numerically, and then the Everett function is established under different DC bias conditions. The hysteresis characteristics of the oriented silicon steel sheets under harmonics and DC bias are simulated by improving FORCs identification method of the Preisach model. By comparing the results of simulation and experiment, the effectiveness of the proposed method is verified, so as to provide an important reference for material production and application.
Structural Changes and Very-Low-Frequency Nonlinear Dielectric Response of XLPE Cable Insulation under Thermal Aging
Authors: Wang Can , Zhao Xuetong , Qiao Jingqi , Xiao Yongjian , Zhang Jie , Li Yuchen , Cao Hanzhong , Yang Lijun , Liao Ruijin
Published: June 2023

The structural changes and very-low-frequency (VLF) nonlinear dielectric responses are measured to evaluate the aging state of cross-linked polyethylene (XLPE) in power cables under various thermal aging conditions. For this purpose, the accelerated thermal aging experiments were performed on XLPE insulation materials at 90 °C, 120 °C and 150 °C with different durations of 240 h, 480 h and 720 h, respectively. The Fourier transform infrared spectrum (FTIR) characterization and differential scanning calorimeter (DSC) were tested to analyze the influence of different aging on physicochemical properties of XLPE insulation. Besides, the VLF dielectric spectra show that the permittivity and dielectric loss change significantly in the VLF range from 1 mHz to 0.2 Hz. A voltage–current (U–I) hysteresis curve referring to a standard sinusoidal voltage and the response current were introduced to characterize the nonlinear dielectric properties of XLPE insulation caused by thermal aging.
Investigation on the Ductility Capacity of Concrete Columns with High Strength Steel Reinforcement under Eccentric Loading
Authors: Zhang Feiyan , Liu Xiang , Ge Fang-Wen , Cui Chenxing
Published: June 2023

Ductility-based structural design is currently the mainstream method. In order to analyze the ductility performance of concrete columns with high-strength steel reinforcements under eccentric compression, corresponding experimental studies have been performed. Numerical models were established, and their reliability was verified. Based on the numerical models, the parameter analysis was carried out, where eccentricity, concrete strength, and reinforcement ratio were considered to systematically discuss the ductility of the concrete column section with high-strength steel reinforcement. The results show that the ductility of the section under eccentric compression increases with the strength of the concrete and eccentricity, and decreases with the reinforcement ratio. Finally, a simplified calculation formula capable of quantitatively evaluating the section ductility was proposed.
Hopf Bifurcation, Periodic Solutions, and Control of a New 4D Hyperchaotic System
Authors: Liu Yu , Zhou Yan , Guo Biyao
Published: June 2023

In this paper, a new four-dimensional (4D) hyperchaotic biplane system is designed and presented. The dynamical properties of this new system are studied by means of tools such as bifurcation diagrams, Lyapunov exponents and phase diagrams. The Hopf bifurcation and periodic solutions of this hyperchaotic system are solved analytically. In addition, a new hyperchaotic control strategy is applied, and a comparative analysis of the controlled system is performed.
A Method for Perception and Assessment of Semantic Textual Similarities in English
Authors: Zatarain Omar , Rumbo-Morales Jesse Yoe , Ramos-Cabral Silvia , Ortíz-Torres Gerardo , Sorcia-Vázquez Felipe d. J. , Guillén-Escamilla Iván , Mixteco-Sánchez Juan Carlos
Published: June 2023

This research proposes a method for the detection of semantic similarities in text snippets; the method achieves an unsupervised extraction and comparison of semantic information by mimicking skills for the identification of clauses and possible verb conjugations, the selection of the most accurate organization of the parts of speech, and similarity analysis by a direct comparison on the parts of speech from a pair of text snippets. The method for the extraction of the parts of speech in each text exploits a knowledge base structured as a dictionary and a thesaurus to identify the possible labels of each word and its synonyms. The method consists of the processes of perception, debiasing, reasoning and assessment. The perception module decomposes the text into blocks of information focused on the elicitation of the parts of speech. The debiasing module reorganizes the blocks of information due to the biases that may be produced in the previous perception. The reasoning module finds the similarities between blocks from two texts through analyses of similarities on synonymy, morphological properties, and the relative position of similar concepts within the texts. The assessment generates a judgement on the output produced by the reasoning as the averaged similarity assessment obtained from the parts of speech similarities of blocks. The proposed method is implemented on an English language version to exploit a knowledge base in English for the extraction of the similarities and differences of texts. The system implements a set of syntactic and logical rules that enable the autonomous reasoning that uses a knowledge base regardless of the concepts and knowledge domains of the latter. A system developed with the proposed method is tested on the “test” dataset used on the SemEval 2017 competition on seven knowledge bases compiled from six dictionaries and two thesauruses. The results indicate that the performance of the method increases as the degree of completeness of concepts and their relations increase, and the Pearson correlation for the most accurate knowledge base is 77%.
Positive Periodic Solution for Neutral-Type Integral Differential Equation Arising in Epidemic Model
Authors: Yang Qing , Wang Xiaojing , Cheng Xiwang , Du Bo , Zhao Yuxiao
Published: June 2023

This paper is devoted to investigating a class of neutral-type integral differential equations arising in an epidemic model. By using Mawhin’s continuation theorem and the properties of neutral-type operators, we obtain the existence conditions for positive periodic solutions of the considered neutral-type integral differential equation. Compared with previous results, the existence conditions in this paper are less restricted, thus extending the results of the existing literature. Finally, two examples are given to show the effectiveness and merits of the main results of this paper. Our results can be used to obtain the existence of a positive periodic solution to the corresponding non-neutral-type integral differential equation.
1-Bit Transmission-Type Digital Programmable Coding Metasurface with Multi-Functional Beam-Shaping Capability for Ka-Band Applications
Authors: Naqvi Aqeel Hussain , Pham Duc Anh , Shah Syed Imran Hussain , Lim Sungjoon
Published: June 2023

Digital programmable coding metasurfaces (DPCMs) have recently attracted enormous attention and have been broadly applied, owing to their ability to manipulate electromagnetic (EM) wave behaviours and programmable multi-functionality. Recent DPCM works are divided into reflection and transmission types (R-DPCM and T-DPCM, respectively); however, there are only a few reported T-DPCM works in the millimetre-wave spectrum, owing to the difficulty of realising the large-phase controllable range while maintaining low transmission losses with electronic control components. Consequently, most millimetre-wave T-DPCMs are demonstrated only with limited functions in a single design. Additionally, all these designs use high-cost substrate materials that constrain practical applicability, owing to cost-ineffectiveness. Herein, we propose a 1-bit T-DPCM that simultaneously performs three dynamic beam-shaping functions with a single structure for millimetre-wave applications. The proposed structure is completely constructed using low-cost FR-4 materials, and operation of each meta-cell is manipulated using PIN-diodes, thus driving the achievement of multiple effective dynamic functionalities including dual-beam scanning, multi-beam shaping, and orbital-angular-momentum-mode generation. It should be noted that there are no reported millimetre-wave T-DPCMs demonstrating multi-function design, thus showing a gap in the recent literature of millimetre-wave T-DPCMs. Moreover, cost-effectiveness can be significantly enhanced, owing to the construction of the proposed T-DPCM using only low-cost material.
Design of a Novel Compact Bandpass Filter Based on Low-Cost Through-Silicon-Via Technology
Authors: Dong Hai , Ding Yingtao , Wang Han , Pan Xingling , Zhou Mingrui , Zhang Ziyue
Published: June 2023

Three-dimensional (3D) integration based on through-silicon-via (TSV) technology provides a solution to the miniaturization of electronic systems. In this paper, novel integrated passive devices (IPDs) including capacitor, inductor, and bandpass filter are designed by employing TSV structures. For lower manufacturing costs, polyimide (PI) liners are used in the TSVs. The influences of structural parameters of TSVs on the electrical performance of the TSV-based capacitor and inductor are individually evaluated. Moreover, with the topologies of capacitor and inductor elements, a compact third-order Butterworth bandpass filter with a central frequency of 2.4 GHz is developed, and the footprint is only 0.814 mm × 0.444 mm. The simulated 3-dB bandwidth of the filter is 410 MHz, and the fraction bandwidth (FBW) is 17%. Besides, the in-band insertion loss is less than 2.63 dB, and the return loss in the passband is better than 11.4 dB, showing good RF performance. Furthermore, as the filter is fully formed by identical TSVs, it not only features a simple architecture and low cost, but also provides a promising idea for facilitating the system integration and layout camouflaging of radio frequency (RF) devices.
A Meta-Analysis of Bacterial Communities in Food Processing Facilities: Driving Forces for Assembly of Core and Accessory Microbiomes across Different Food Commodities
Authors: Xu Zhaohui S. , Ju Tingting , Yang Xianqin , Gänzle Michael
Published: June 2023

Microbial spoilage is a major cause of food waste. Microbial spoilage is dependent on the contamination of food from the raw materials or from microbial communities residing in food processing facilities, often as bacterial biofilms. However, limited research has been conducted on the persistence of non-pathogenic spoilage communities in food processing facilities, or whether the bacterial communities differ among food commodities and vary with nutrient availability. To address these gaps, this review re-analyzed data from 39 studies from various food facilities processing cheese (n = 8), fresh meat (n = 16), seafood (n = 7), fresh produce (n = 5) and ready-to-eat products (RTE; n = 3). A core surface-associated microbiome was identified across all food commodities, including Pseudomonas, Acinetobacter, Staphylococcus, Psychrobacter, Stenotrophomonas, Serratia and Microbacterium. Commodity-specific communities were additionally present in all food commodities except RTE foods. The nutrient level on food environment surfaces overall tended to impact the composition of the bacterial community, especially when comparing high-nutrient food contact surfaces to floors with an unknown nutrient level. In addition, the compositions of bacterial communities in biofilms residing in high-nutrient surfaces were significantly different from those of low-nutrient surfaces. Collectively, these findings contribute to a better understanding of the microbial ecology of food processing environments, the development of targeted antimicrobial interventions and ultimately the reduction of food waste and food insecurity and the promotion of food sustainability.
Association between Helicobacter pylori Infection and Nasal Polyps: A Systematic Review and Meta-Analysis
Authors: Doulberis Michael , Kountouras Jannis , Stadler Thomas , Meerwein Christian , Polyzos Stergios A. , Kulaksiz Hasan , Chapman Michael H. , Rogler Gerhard , Riva Daniele , Linas Ioannis , Kavaliotis John , Kazakos Evangelos , Mouratidou Maria , Liatsos Christos , Papaefthymiou Apostolis
Published: June 2023

Background: Helicobacter pylori (H. pylori) has definite or possible associations with multiple local and distant manifestations. H. pylori has been isolated from multiple sites throughout the body, including the nose. Clinical non-randomized studies with H. pylori report discrepant data regarding the association between H. pylori infection and nasal polyps. The aim of this first systematic review and meta-analysis was the assessment of the strength of the association between H. pylori infection and incidence of nasal polyps. Methods: We performed an electronic search in the three major medical databases, namely PubMed, EMBASE and Cochrane, to extract and analyze data as per PRISMA guidelines. Results: Out of 57 articles, 12 studies were graded as good quality for analysis. Male-to-female ratio was 2:1, and age ranged between 17–78 years. The cumulative pooled rate of H. pylori infection in the nasal polyp group was 32.3% (controls 17.8%). The comparison between the two groups revealed a more significant incidence of H. pylori infection among the nasal polyp group (OR 4.12), though with high heterogeneity I2 = 66%. Subgroup analysis demonstrated that in European studies, the prevalence of H. pylori infection among the nasal polyp group was significantly higher than in controls, yielding null heterogeneity. Subgroup analysis based on immunohistochemistry resulted in null heterogeneity with preserving a statistically significant difference in H. pylori infection prevalence between the groups. Conclusion: The present study revealed a positive association between H. pylori infection and nasal polyps.
Lipid Accumulation in Blastocystis Increases Cell Damage in Co-Cultured Cells
Authors: Liao Chen-Chieh , Chen Chun-Hsien , Shin Jyh-Wei , Lin Wei-Chen , Chen Chien-Chin , Chu Chun-Ting
Published: June 2023

Blastocystis hominis is an intestinal protozoan that is often neglected, despite causing abdominal pain and diarrhea. Previous research has demonstrated that lipids can be synthesized by B. hominis or can accumulate in growth medium, but their function and mechanisms in the pathogenesis of Blastocystis remain unclear. Our study found that lipid-rich Blastocystis ST7-B can increase inflammation and disrupt Caco-2 cells more than the same parasite without the lipovenoes supplement. Additionally, the cysteine protease of Blastocystis, a virulence factor, is upregulated and has higher activity in lipid-rich Blastocystis. In order to better understand the effects of lipids on Blastocystis pathogenesis, we treated lipid-lowering pravastatin during Blastocystis ST7-B culturing with a lipovenoes supplement, which decreased the lipid levels of the Blastocystis and reduced the Blastocystis-induced inflammation and cell disruption of Caco-2 cells. We also analyzed the fatty acid composition and possible synthesis pathway in Blastocystis ST7-B, finding significantly higher ratios of arachidonic acid, oleic acid, and palmitic acid than in the other lipid components in lipid-rich Blastocystis ST7-B. These results suggest that lipids play a significant role in the pathogenesis of Blastocystis and provide important information on the molecular mechanisms of and potential treatments for Blastocystis infection.
Controlling Factors of Meteoric Diagenesis in Karst Reservoirs: An Example from the Majiagou Formation, Ordos Basin, China
Authors: Yang Jiaqi , Zhang Juntao , He Zhiliang , Brandano Macro , Wu Chongyang
Published: June 2023

Karst reservoirs have always been a key field of oil and gas exploration. However, quantifying the process of meteoric transformation remains a persistent challenge that limits the accuracy of reservoir quality prediction. To explore the controlling factors of meteoric cementation on karst reservoirs, the Majiagou Formation of the Ordos Basin in China was selected as an example. The petrology; carbon, oxygen, and strontium isotopes; and in situ major, trace, and rare earth elements were used, types and origins of calcite cements were analyzed in detail. The results revealed five types of calcite cements (Cal-1~Cal-5), four types of cathodoluminescence (CL) intensities (dull, dull red, deep red, and bright red luminescence), and six types of rare earth element patterns (Pattern-1~Pattern-6). These five types of calcite cements developed in three periods. Cal-1 (transition CL) and Cal-2 (dull CL) were precipitated during the Early Pennsylvanian period, the meteoric freshwater was clean; Cal-3 (transition CL) and Cal-4 (bright red CL) were precipitated at the end of the Late Carboniferous period, the fluids had strong dissolution ability and were polluted by terrigenous debris; Cal-5 (transition CL) was deposited during the burial period, the fluid was pure pore water or groundwater. The control of the cement on the reservoir during the burial period was much weaker than that of meteoric cements. Therefore, explorations of karst reservoirs should be focused on weak cementation during the epigenetic period.
Industrial Ceramics: From Waste to New Resources for Eco-Sustainable Building Materials
Authors: Fugazzotto Maura , Mazzoleni Paolo , Lancellotti Isabella , Camerini Rachel , Ferrari Pamela , Tiné Maria , Centauro Irene , Salvatici Teresa , Barone Germana
Published: June 2023

Today, the need to dispose of a huge amount of ceramic industrial waste represents an important problem for production plants. Contextually, it is increasingly difficult to retrieve new mineral resources for the realization of building materials. Reusing ceramic industrial waste as precursors for building blocks/binders, exploiting their aluminosilicate composition for an alkaline activation process, could solve the problem. This chemical process facilitates the consolidation of new binders/blocks without thermal treatments and with less CO2 emissions if compared with traditional cements/ceramics. The alkali-activated materials (AAMs) are today thought as the materials of the future, eco-sustainable and technically advanced. In this study, six different kind of industrial ceramic waste are compared in their chemical and mineralogical composition, together with their thermal behaviour, reactivity in an alkaline environment and surface area characteristics, with the aim of converting them from waste into new resources. Preliminary tests of AAM synthesis by using 80%–100% of ceramic waste as a precursor show promising results. Workability, porosity and mechanical strengths in particular are measured, showing as, notwithstanding the presence of carbonate components, consolidated materials are obtained, with similar results. The main factors which affect the characteristics of the synthetized AAMs are the precursors’ granulometry, curing temperature and the proportions of the activating solutions.
A Rapid Qualitative Screening Method for Isoniazid Tablets Using Handheld NIR Spectrometers in Two Countries
Authors: Eady Matthew , Caison Jonelle , Jinnah Mohammed , Jenkins David
Published: June 2023

Background: Isoniazid is a leading tuberculosis treating medication. Global supply chains provide essential medicines such as isoniazid to resource-limited areas. Ensuring the safety and efficaciousness of these medicines is essential to public health programs. Handheld spectrometers are becoming increasingly approachable in cost and usability. As supply chains expand, quality compliance screening of essential medications is necessary in site-specific locations. Here, a brand-specific qualitative discrimination analysis of isoniazid is approached by collecting data from two handheld spectrometers in two countries with the intent to build a multi-location quality compliance screening method for a brand of isoniazid. Methods: Two handheld spectrometers (900–1700 nm) were used to collect spectra from five manufacturing sources (N = 482) in Durham, North Carolina, USA, and Centurion, South Africa. A qualitative brand differentiation method was established from both locations by applying a Mahalanobis distance thresholding method as a measure of assessing similarity. Results: Combining data from both locations resulted in a 100% classification accuracy, at both locations, for brand ‘A’ and resulted in the four other brands classifying as dissimilar. Bias was found between sensors in terms of resulting Mahalanobis distances, but the classification method proved to be robust enough to accommodate. Several spectral peaks found in isoniazid references appear within the 900–1700 nm range, as well as variation in the excipients per manufacturer. Conclusions: Results show promise for compliance screening isoniazid as well as other tablets in multiple geographic locations using handheld spectrometers.
Background-Quenched Aggregation-Induced Emission through Electrostatic Interactions for the Detection of Poly(ADP-ribose) Polymerase-1 Activity
Authors: Gao Fengli , Zhao Ruimin , Huang Liping , Yi Xinyao
Published: June 2023

Poly(ADP-ribose) polymerase-1 (PARP1) is a potential biomarker and therapeutic target for cancers that can catalyze the poly-ADP-ribosylation of nicotinamide adenine dinucleotide (NAD+) onto the acceptor proteins to form long poly(ADP-ribose) (PAR) polymers. Through integration with aggregation-induced emission (AIE), a background-quenched strategy for the detection of PARP1 activity was designed. In the absence of PARP1, the background signal caused by the electrostatic interactions between quencher-labeled PARP1-specitic DNA and tetraphenylethene-substituted pyridinium salt (TPE-Py, a positively charged AIE fluorogen) was low due to the fluorescence resonance energy transfer effect. After poly-ADP-ribosylation, the TPE-Py fluorogens were recruited by the negatively charged PAR polymers to form larger aggregates through electrostatic interactions, thus enhancing the emission. The detection limit of this method for PARP1 detection was found to be 0.006 U with a linear range of 0.01~2 U. The strategy was used to evaluate the inhibition efficiency of inhibitors and the activity of PARP1 in breast cancer cells with satisfactory results, thus showing great potential for clinical diagnostic and therapeutic monitoring.
Extraction and Encapsulation of Phytocompounds of Poniol Fruit via Co-Crystallization: Physicochemical Properties and Characterization
Authors: Ali N. Afzal , Dash Kshirod Kumar , Pandey Vinay Kumar , Tripathi Anjali , Mukarram Shaikh Ayaz , Harsányi Endre , Kovács Béla
Published: June 2023

Poniol (Flacourtia jangomas) has beneficial health effects due to its high polyphenolic and good antioxidant activity content. This study aimed to encapsulate the Poniol fruit ethanolic extract to the sucrose matrix using the co-crystallization process and analyze the physicochemical properties of the co-crystalized product. The physicochemical property characterization of the sucrose co-crystallized with the Poniol extract (CC-PE) and the recrystallized sucrose (RC) samples was carried out through analyzing the total phenolic content (TPC), antioxidant activity, loading capacity, entrapment yield, bulk and traped densities, hygroscopicity, solubilization time, flowability, DSC, XRD, FTIR, and SEM. The result revealed that the CC-PE product had a good entrapment yield (76.38%) and could retain the TPC (29.25 mg GAE/100 g) and antioxidant properties (65.10%) even after the co-crystallization process. Compared to the RC sample, the results also showed that the CC-PE had relatively higher flowability and bulk density, lower hygroscopicity, and solubilization time, which are desirable properties for a powder product. The SEM analysis showed that the CC-PE sample has cavities or pores in the sucrose cubic crystals, which proposed that the entrapment was better. The XRD, DSC, and FTIR analyses also showed no changes in the sucrose crystal structure, thermal properties, and functional group bonding structure, respectively. From the results, we can conclude that co-crystallization increased sucrose’s functional properties, and the co-crystallized product can be used as a carrier for phytochemical compounds. The CC-PE product with improved properties can also be utilized to develop nutraceuticals, functional foods, and pharmaceuticals.
Detachment of Dodecane from Silica Surfaces with Variable Surface Chemistry Studied Using Molecular Dynamics Simulation
Authors: Jiang Binbin , Hou Huan , Liu Qian , Wang Hongyuan , Li Yang , Yang Boyu , Su Chen , Wu Min
Published: June 2023

The adsorption and detachment processes of n-dodecane (C12H26) molecules were studied on silica surfaces with variable surface chemistry (Q2, Q3, Q4 environments), using molecular dynamics simulations. The area density of the silanol groups varied from 9.4 to 0 per nm2. The shrinking of the oil–water–solid contact line was a key step for the oil detachment, due to water diffusion on the three-phase contact line. The simulation results showed that oil detachment was easier and faster on a perfect Q3 silica surface which had (≡Si(OH))-type silanol groups, due to the H-bond formation between the water and silanol groups. When the surfaces contained more Q2 crystalline type which had (≡Si(OH)2)-type silanol groups, less oil detached, due to the formations of H-bonds among the silanol groups. There were no silanol groups on the Si-OH 0 surface. Water cannot diffuse on the water–oil–silica contact line, and oil cannot detach from the Q4 surface. The detachment efficiency of oil from the silica surface not only depended on the area density, but also on the types of silanol groups. The density and type of silanol groups depend on the crystal cleavage plane, particle size, roughness, and humidity.
Synthesis and Receptor Binding Studies of α5 GABAAR Selective Novel Imidazodiazepines Targeted for Psychiatric and Cognitive Disorders
Authors: Sharmin Dishary , Mian Md Yeunus , Marcotte Michael , Prevot Thomas D. , Sibille Etienne , Witkin Jeffrey M. , Cook James M.
Published: June 2023

GABA mediates inhibitory actions through various GABAA receptor subtypes, including 19 subunits in human GABAAR. Dysregulation of GABAergic neurotransmission is associated with several psychiatric disorders, including depression, anxiety, and schizophrenia. Selective targeting of α2/3 GABAARs can treat mood and anxiety, while α5 GABAA-Rs can treat anxiety, depression, and cognitive performance. GL-II-73 and MP-III-022, α5-positive allosteric modulators have shown promising results in animal models of chronic stress, aging, and cognitive disorders, including MDD, schizophrenia, autism, and Alzheimer’s disease. Described in this article is how small changes in the structure of imidazodiazepine substituents can greatly impact the subtype selectivity of benzodiazepine GABAAR. To investigate alternate and potentially more effective therapeutic compounds, modifications were made to the structure of imidazodiazepine 1 to synthesize different amide analogs. The novel ligands were screened at the NIMH PDSP against a panel of 47 receptors, ion channels, including hERG, and transporters to identify on- and off-target interactions. Any ligands with significant inhibition in primary binding were subjected to secondary binding assays to determine their Ki values. The newly synthesized imidazodiazepines were found to have variable affinities for the benzodiazepine site and negligible or no binding to any off-target profile receptors that could cause other physiological problems.
The Ameliorative Effect of Pioglitazone against Neuroinflammation Caused by Doxorubicin in Rats
Authors: Alsaud May M. , Alhowail Ahmad H. , Aldubayan Maha A. , Almami Ibtesam S.
Published: June 2023

Doxorubicin (DOX) is a chemotherapeutic agent that is linked with complications such as cardiotoxicity and cognitive dysfunction, known as chemobrain. Chemobrain affects up to 75% of cancer survivors, and there are no known therapeutic options for its treatment. This study aimed to determine the protective effect of pioglitazone (PIO) against DOX-induced cognitive impairment. Forty Wistar female rats were equally divided into four groups: control, DOX-treated, PIO-treated, and DOX + PIO-treated. DOX was administered at a dose of 5 mg/kg, i.p., twice a week for two weeks (cumulative dose, 20 mg/kg). PIO was dissolved in drinking water at a concentration of 2 mg/kg in the PIO and DOX-PIO groups. The survival rates, change in body weight, and behavioral assessment were performed using Y-maze, novel object recognition (NOR), and elevated plus maze (EPM), followed by estimation of neuroinflammatory cytokines IL-6, IL-1β, and TNF-α in brain homogenate and RT-PCR of a brain sample. Our results showed a survival rate of 40% and 65% in the DOX and DOX + PIO groups, respectively, compared with a 100% survival rate in the control and PIO treatment groups at the end of day 14. There was an insignificant increase in body weight in the PIO group and a significant reduction in the DOX and DOX + PIO groups as compared with the control groups. DOX-treated animals exhibited impairment of cognitive function, and the combination PIO showed reversal of DOX-induced cognitive impairment. This was evidenced by changes in IL-1β, TNF-α, and IL-6 levels and also by mRNA expression of TNF- α, and IL-6. In conclusion, PIO treatment produced a reversal of DOX-induced memory impairment by alleviating neuronal inflammation by modulating the expression of inflammatory cytokines.
Morin Hydrate Encapsulation and Release from Mesoporous Silica Nanoparticles for Melanoma Therapy
Authors: Cunha Catarina , Marinheiro Diogo , Ferreira Bárbara J. M. L. , Oliveira Helena , Daniel-da-Silva Ana L.
Published: June 2023

Melanoma incidence, a type of skin cancer, has been increasing worldwide. There is a strong need to develop new therapeutic strategies to improve melanoma treatment. Morin is a bioflavonoid with the potential for use in the treatment of cancer, including melanoma. However, therapeutic applications of morin are restrained owing to its low aqueous solubility and limited bioavailability. This work investigates morin hydrate (MH) encapsulation in mesoporous silica nanoparticles (MSNs) to enhance morin bioavailability and consequently increase the antitumor effects in melanoma cells. Spheroidal MSNs with a mean size of 56.3 ± 6.5 nm and a specific surface area of 816 m2/g were synthesized. MH was successfully loaded (MH-MSN) using the evaporation method, with a loading capacity of 28.3% and loading efficiency of 99.1%. In vitro release studies showed that morin release from MH-MSNs was enhanced at pH 5.2, indicating increased flavonoid solubility. The in vitro cytotoxicity of MH and MH-MSNs on human A375, MNT-1 and SK-MEL-28 melanoma cell lines was investigated. Exposure to MSNs did not affect the cell viability of any of the cell lines tested, suggesting that the nanoparticles are biocompatible. The effect of MH and MH-MSNs on reducing cell viability was time- and concentration-dependent in all melanoma cell lines. The A375 and SK-MEL-28 cell lines were slightly more sensitive than MNT-1 cells in both the MH and MH-MSN treatments. Our findings suggest that MH-MSNs are a promising delivery system for the treatment of melanoma.
Synthesis, Characterization, DFT Studies of Novel Cu(II), Zn(II), VO(II), Cr(III), and La(III) Chloro-Substituted Schiff Base Complexes: Aspects of Its Antimicrobial, Antioxidant, Anti-Inflammatory, and Photodegradation of Methylene Blue
Authors: Abdel-Rahman Laila H. , Basha Maram T. , Al-Farhan Badriah Saad , Alharbi Walaa , Shehata Mohamed R. , Al Zamil Noura O. , Abou El-ezz Doaa
Published: June 2023

A new chlorobenzylidene imine ligand, (E)-1-((5-chloro-2-hydroxybenzylidene)amino) naphthalen-2-ol (HL), and its [Zn(L)(NO3)(H2O)3], [La(L)(NO3)2(H2O)2], [VO(L)(OC2H5)(H2O)2], [Cu(L)(NO3)(H2O)3], and [Cr(L)(NO3)2(H2O)2], complexes were synthesized and characterized. The characterization involved elemental analysis, FT-IR, UV/Vis, NMR, mass spectra, molar conductance, and magnetic susceptibility measurements. The obtained data confirmed the octahedral geometrical structures of all metal complexes, while the [VO(L)(OC2H5)(H2O)2] complex exhibited a distorted square pyramidal structure. The complexes were found to be thermally stable based on their kinetic parameters determined using the Coats–Redfern method. The DFT/B3LYP technique was employed to calculate the optimized structures, energy gaps, and other important theoretical descriptors of the complexes. In vitro antibacterial assays were conducted to evaluate the complexes’ potential against pathogenic bacteria and fungi, comparing them to the free ligand. The compounds exhibited excellent fungicidal activity against Candida albicans ATCC: 10231 (C. albicans) and Aspergillus negar ATCC: 16404 (A. negar), with inhibition zones of HL, [Zn(L)(NO3)(H2O)3], and [La(L)(NO3)2(H2O)2] three times higher than that of the Nystatin antibiotic. The DNA binding affinity of the metal complexes and their ligand was investigated using UV-visible, viscosity, and gel electrophoresis methods, suggesting an intercalative binding mode. The absorption studies yielded Kb values ranging from 4.40 × 105 to 7.30 × 105 M−1, indicating high binding strength to DNA comparable to ethidium bromide (value 107 M−1). Additionally, the antioxidant activity of all complexes was measured and compared to vitamin C. The anti-inflammatory efficacy of the ligand and its metal complexes was evaluated, revealing that [Cu(L)(NO3)(H2O)3] exhibited the most effective activity compared to ibuprofen. Molecular docking studies were conducted to explore the binding nature and affinity of the synthesized compounds with the receptor of Candida albicans oxidoreductase/oxidoreductase INHIBITOR (PDB ID: 5V5Z). Overall, the combined findings of this work demonstrate the potential of these new compounds as efficient fungicidal and anti-inflammatory agents. Furthermore, the photocatalytic effect of the Cu(II) Schiff base complex/GO was examined.
GC-MS Silylation Derivative Method to Characterise Black BIC® Ballpoint 2-Phenoxyethanol Ratio Evaporation Profile—A Contribution to Ink Ageing Estimation
Authors: Leal Teresa Argente , Ferreira Carla , Ribeiro Ana , Ahmad Samir Marcos , Quintas Alexandre , Bernardo Alexandra
Published: June 2023

One of the major challenges in forensic document analysis is estimating the age of ink deposition on a manually written document. The present work aims to develop and optimise a methodology, based on the evaporation of 2-phenoxyethanol (PE) over time, that can contribute to ink age estimation. A black BIC® Crystal Ballpoint Pen was purchased in a commercial area, and ink deposition began in September 2016 over 1095 days. For each ink sample, 20 microdiscs were subjected to n-hexane extraction in the presence of an internal standard (ethyl benzoate) followed by derivatisation with a silylation reagent. A gas chromatography-mass spectrometry (GC/MS) method was optimised for PE-trimethylsilyl (PE-TMS) to characterise the ageing curve. The developed method presented good linearity between 0.5 and 50.0 μg mL−1, as well as limits of detection and quantification of 0.026 and 0.104 μg mL−1, respectively. It was possible to characterise PE-TMS concentration over time, which reveals a two-phase decay behaviour. First, there was a substantial decline between the 1st and the 33rd day of deposition, followed a by a stabilisation of the signal, which allowed to detect the presence of PE-TMS up to 3 years. Two unknown compounds were also present and allowed to identify three dating time frames for the same ink stroke: (i) between time 0 and 33 days, (ii) between time 34 and 109 days, and (iii) more than 109 days. The developed methodology allowed to characterise the behaviour of PE over time and to establish a relative dating of three-time frames.
Milk Protein Adsorption on Metallic Iron Surfaces
Authors: Mosaddeghi Amini Parinaz , Subbotina Julia , Lobaskin Vladimir
Published: June 2023

Food processing and consumption involves multiple contacts between biological fluids and solid materials of processing devices, of which steel is one of the most common. Due to the complexity of these interactions, it is difficult to identify the main control factors in the formation of undesirable deposits on the device surfaces that may affect safety and efficiency of the processes. Mechanistic understanding of biomolecule–metal interactions involving food proteins could improve management of these pertinent industrial processes and consumer safety in the food industry and beyond. In this work, we perform a multiscale study of the formation of protein corona on iron surfaces and nanoparticles in contact with cow milk proteins. By calculating the binding energies of proteins with the substrate, we quantify the adsorption strength and rank proteins by the adsorption affinity. We use a multiscale method involving all-atom and coarse-grained simulations based on generated ab initio three-dimensional structures of milk proteins for this purpose. Finally, using the adsorption energy results, we predict the composition of protein corona on iron curved and flat surfaces via a competitive adsorption model.