bluuebunny/crossref_metadata_2025 huggingface dataset:
Digital Light Processing of Zirconia Suspensions Containing Photocurable Monomer/Camphor Vehicle for Dental Applications
Authors: Yang Seo-Young , Koh Young-Hag , Kim Hyoun-Ee
Published: January 2023

This study reports the utility of solid camphor as a novel diluent in photocurable hexanediol diacrylate (HDDA) monomer to manufacture 4 mol% yttria partially stabilized zirconia (4Y-PSZ) components for dental applications by digital light processing (DLP). The use of a 65 wt% HDDA–35 wt% camphor solution allowed 4Y-PSZ suspensions to have reasonably low viscosities (1399 ± 55.8 mPa·s at a shear rate of 75 s−1), measured by a cone/plate viscometer, at a high solid loading of 48 vol%, where 4Y-PSZ particles prepared by calcination of as-received 4Y-PSZ granules, followed by a ball-milling process, were used with assistance of a dispersant. These 4Y-PSZ suspensions could be successfully applied to our custom-made DLP machine for manufacturing 4Y-PSZ components. To this end, several processing parameters, including layer thickness of 4Y-PSZ suspension, UV illumination time for layer-by-layer photocuring process, and initial dimensions of 4Y-PSZ objects, were tightly controlled. As sintering temperature increased from 1300 °C to 1500 °C, relative density and grain size of 4Y-PSZ objects increased, and cubic phase content also increased. Thus, after sintering at the highest temperature of 1500 °C for 3 h, high mechanical properties (biaxial flexural strength = 911 ± 40.7 MPa, hardness = 1371 ± 14.4 Hv) and reasonably high optical transmittance (translucency parameter = 7.77 ± 0.32, contrast ratio = 0.809 ± 0.007), evaluated by a spectrophotometer, were obtained due to a high relative density (97.2 ± 1.38%), which would be useful for dental applications.
Analytical Simulation of the Microbubble Collapsing in a Welding Fusion Pool
Authors: Teyeb Ahmed , Salimi Mohamad , El Masri Evelyne , Balachandran Wamadeva , Gan Tat-Hean
Published: January 2023

This paper explains the use of remote ultrasound vibration at the optimum position and frequencies to vibrate plates under welding, with the aim of initiating cavitation in the molten pool area. It has been shown in the literature that ultrasound cavitation changes microstructure morphology and refines the grain of the weld. In practice, the plates are excited through narrow-band high-power ultrasound transducers (HPUTs). Therefore, a theoretical investigation is carried out to identify the plate-mode shapes due to the ultrasound vibration aligned with the frequency bandwidth of HPUTs available in the marketplace. The effect of exciting the plate at different locations and frequencies is studied to find the optimum position and frequencies to achieve the maximum pressure at the area of the fusion zone. It was shown that applying the excitation from the side of the plate produces an order of 103 higher vibration displacement amplitude, compared with excitation from the corner. The forced vibration of cavitation and bursting time are studied to identify vibration amplitude and the time required to generate and implode cavities, hence specifying the vibration-assisted welding time. Thus, the proposed computational platform enables efficient multiparametric analysis of cavitation, initiated by remote ultrasound excitation, in the molten pool under welding.
Impact Fatigue Life of Adhesively Bonded Composite-Steel Joints Enhanced with the Bi-Adhesive Technique
Authors: Akhavan-Safar Alireza , Eisaabadi Bozchaloei Ghasem , Jalali Shahin , Beygi Reza , Ayatollahi Majid R. , da Silva Lucas F. M.
Published: January 2023

One of the most common loading conditions that bonded joints experience in service is repeated impact. Despite the destructive effects of impact fatigue, the behavior of metal-composite bonded joints subjected to repeated impact loads has rarely been studied in the literature. Therefore, it is of utmost importance to pay attention to this phenomenon on the one hand and to find solutions to improve the impact fatigue life of bonded composite metal components on the other hand. Accordingly, in this study, the use of the bi-adhesive technique is proposed to improve the durability of composite-metal single-lap joints (SLJs) under impact fatigue loading conditions. J-N (energy-life) method is also used to analyze the experimental data obtained. Accordingly, in the present study, the impact fatigue behavior of single adhesive metal to composite joints was analyzed experimentally based on the J-N method and also numerically using the finite element method (FEM). By using two adhesives along a single overlap, the impact fatigue life of joints between dissimilar composite and metal joints was also analyzed experimentally. The results show that the double adhesives technique can significantly improve the impact fatigue life of the tested joints. It was also found that the optimum length ratio of the adhesives (the length covered by the ductile adhesive relative to the total overlap size) is a function of the stiffness of the joint and is more pronounced for less stiff bonded joints. A linear elastic numerical analysis was also conducted to evaluate the stress state along the bloodline of the bonded joints. Results show that the compressive peel stress made at the boundary of the two adhesives can be a possible reason behind the different results observed.
New Chlorinated Metabolites and Antiproliferative Polyketone from the Mangrove Sediments-Derived Fungus Mollisia sp. SCSIO41409
Authors: Cai Jian , Wang Xueni , Gan Xia , Zhou Qian , Luo Xiaowei , Yang Bin , Liu Yonghong , Ratnasekera Disna , Zhou Xuefeng
Published: January 2023

Two new chlorinated metabolites, 8-chlorine-5-hydroxy-2,3-dimethyl-7-methoxychromone (1) and 3,4-dichloro-1H-pyrrole-2,5-dione (3), and eight known compounds (2 and 4–9) were isolated from the mangrove sediments-derived fungus Mollisia sp. SCSIO41409. Their structures were elucidated by physicochemical properties and extensive spectroscopic analysis. The absolute configuration of stemphone C (4) was established for the first time by the X-ray crystallographic analysis. Compounds 3 and 4 showed different intensity of antimicrobial activities against several pathogenic fungi and bacteria, and antiproliferative activities against two human prostate cancer cell lines (IC50 values 2.77 to 9.60 μM). Further, stemphone C (4) showed a reducing PC-3 cell colony formation, inducing apoptosis and blocking the cell cycle at S-phase in a dose-dependent manner; thus, it could be considered as a potential antiproliferative agent and a promising anti-prostate cancer lead compound.
Bio-Guided Optimization of Cystoseira abies-marina Cosmeceuticals Extraction by Advanced Technologies
Authors: Rosa Gonçalo P. , Peixoto Andreia F. , Barreto Maria Carmo , Seca Ana M. L. , Pinto Diana C. G. A.
Published: January 2023

Cystoseira abies-marina (reclassified as Gongolaria abies-marina) is a brown seaweed species rich in meroterpenoids, presenting interesting antioxidant, antitumor, and anti-inflammatory activities. However, there is still a lot to uncover regarding the bioactive potential of this species, as evidenced by the lack of records of antiaging activities from Cystoseira abies-marina, making this macroalga an excellent candidate for studies of its cosmeceutical potential. Ultrasound-(UAE) and microwave-assisted extraction (MAE) are advanced sustainable technologies that are very efficient in enhancing bioactive compound extraction. Applying these extraction techniques to a new biological matrix often calls for optimizing the parameters toward the best extraction yield. Since Cystoseira abies-marina is a new matrix for both UAE and MAE techniques, the present work proposes the optimization of the extraction process, using a novel approach: instead of only focusing on increasing the yield, the goal of this work is to determine the parameters for UAE and MAE that lead to extracts with better antiaging activities. For this bio-guided approach, several Cystoseira abies-marina extracts were prepared by UAE and MAE under varying conditions of solvent, time, and algae/solvent ratios. Their antiaging activities were then determined, and all the results combined to unveil the conditions yielding extracts with higher cosmeceutical potential. Using statistical tools, it was found that, for UAE, the best conditions were ethyl acetate, 15 min, and a ratio of 1:4, which led to an extract with high yield, and causing the strong inhibition of tyrosinase and elastase. In turn, ethanol, 10 min, and a ratio of 1:4 were the best conditions for MAE, leading to the extract with the best antioxidant activity. The results show that the proposed bio-guided approach was effective in obtaining extracts with high cosmeceutical potential, unveiling the possibility of modulating an extract’s activity by changing the extraction method.
The Effectiveness of Antiplatelet Therapy and the Factors Influencing It in Patients with Acute Coronary Syndrome before and during the COVID-19 Pandemic
Authors: Anchidin Ovidiu-Ionut , Rosianu Stefan Horia , Nemes Ancuta , Aldica Mihai , Blendea Dan , Molnar Adrian , Moldovan Horatiu , Pop Dana
Published: January 2023

Background and Objectives: Dual antiplatelet therapy (DAPT) is essential in the treatment of patients with acute coronary syndrome (ACS). The objective of this study was to evaluate the effectiveness of antiplatelet medication in our practice and to investigate the factors that influence it. Materials and Methods: A prospective cohort observational study was conducted, in which 193 patients with ACS were enrolled. The patients were stented in the catheterization laboratory between May 2019 and October 2020, before and during the COVID-19 pandemic, and were receiving DAPT. Their platelet functions were tested using a Multiplate Analyzer. In addition to this, clinical data, demographics, laboratory tests, and cardiovascular risk factors were also analyzed. Results: 43.46% of the patients treated with aspirin were found to be resistant to it. This phenomenon was more common in men (48.17% vs. 31.48%, p = 0.036), and it was associated with being under the age of 50 (OR: 2.08; 95% CI: 1.11–3.90) and weighing over 70 kg (OR: 3.00; 95% CI: 1.21–7.40). Most of the patients treated with clopidogrel were in the optimal treatment window, while about half of the patients treated with ticagrelor had an exaggerated pharmacological response. Among the laboratory parameters, leukocytosis and platelet count were found to be determinants of platelet reactivity for both the aspirin and ticagrelor treatments. Conclusions: Many patients treated with antiplatelet agents are outside of the treatment window. The results obtained showed that low doses of gastro-resistant aspirin tablets are ineffective, and their efficacy can be influenced by various clinical and laboratory factors. Patients receiving ticagrelor have significantly reduced platelet reactivity, influenced only by certain laboratory indicators. The pandemic significantly influenced the results of the platelet aggregation tests only in patients treated with clopidogrel.
Effect of Gait Alteration on Fatigability during Walking in Adult Women with High Body Fat Composition
Authors: Aldhahi Monira I.
Published: January 2023

Background and Objective: The risk factors for injury due to alterations in gait efficiency and fatigability during walking are a rising concern. Therefore, the aims of this study were to characterize the changes in gait pattern and performance fatigability among adult women with a high body fat percentage and to study the association between the gait pattern and performance fatigability during walking. Materials and Methods: A total of 160 adult women were enrolled in the study and were divided into two groups: a high-body-fat percentage group (HBF; n = 80; fat% = 42.49 ± 3.51) and a comparison group with a normal body fat percentage (NBF; n = 80; fat% = 29.68 ± 4.30). The 10 min walking test (10-MWT) was used to measure performance fatigability. Treadmill-based gait analysis was used for the acquisition of gait parameters. The correlation between the variables was examined using Pearson’s correlation coefficient. Forward stepwise linear regression was carried out to examine the association between all independent variables, and performance fatigability was adjusted for age and height. The level of statistical significant was set at p-value < 0.05 in all analyses. Results: The mean performance fatigability during the 10-MWT was reported to be high (1.4 ± 0.13) among the participants with HBF, as compared with a fatigability of 1.25 ± 0.11 in the NBF group. The data analysis of the spatial parameters indicated that stride length and step length were statistically smaller in the participants with HBF, as compared with the NBF group. The effects of average maximum force, speed, cadence, step length, and stride length explained the variation in the performance fatigability by 61% (p = 0.007). Conclusion: The findings of this study showed that gait alteration due to excess body fat induced a reduction in performance, as reflected by the high fatigability performance during walking. The study demonstrated a significant association between the severity of performance fatigability and spatial gait parameters.
Cancer—Yesterday, Today, Tomorrow
Authors: Grigorean Valentin Titus , Cristian Daniel Alin
Published: January 2023

The COVID-19 pandemic has brought infectious and contagious diseases back to the forefront of medical concerns worldwide [...]
First Case Report of Developmental Bilateral Cataract with a Novel Mutation in the ZEB2 Gene Observed in Mowat-Wilson Syndrome
Authors: Tronina Agnieszka , Świerczyńska Marta , Filipek Erita
Published: January 2023

Background: Mowat-Wilson syndrome (MWS) is extremely rare multisystemic autosomal dominant disorder caused by mutations in the Zinc Finger E-Box Binding Homeobox 2 (ZEB2) gene. Ocular pathologies are one of the symptoms that appear in the clinical picture of MWS individuals, but not many have been described so far. Pathologies such as optic nerve or retinal epithelium atrophy, iris or optic disc coloboma as well as congenital cataracts have been most frequently described until now. Therefore, we would like to report the first case of bilateral developmental cataract in a 9-year-old girl with MWS who underwent successful cataract surgery with intraocular lens implantation. Case Presentation: A 9-year-old girl, diagnosed with p.Gln694Ter mutation in ZEB2 gene and suspicion of MWS was referred to the Children’s Outpatient Ophthalmology Clinic for ophthalmological evaluation. Her previous assessments revealed abnormalities of the optic nerve discs. The patient was diagnosed with atrophy of the optic nerves, convergent strabismus, and with-the-rule astigmatism. One year later, during the follow-up visit, the patient was presented with decreased visual acuity (VA), developmental total cataract in the right eye and a developmental partial cataract in the left eye. This resulted in decreased VA confirmed by deteriorated responses in visual evoked potential (VEP) test. The girl underwent a two-stage procedure of cataract removal, first of one eye and then of the other eye with artificial lens implants. In the 2 years following the operation, no complications were observed and, most remarkably, VA improved significantly. Conclusions: The ZEB2 gene is primarily responsible for encoding the Smad interaction protein 1 (SIP1), which is involved in the proper development of various eye components. When mutated, it results in multilevel abnormalities, also in the proper lens formation, that prevent the child from normal vision development. This typically results in the formation of congenital cataracts in children with MWS syndrome, however, our case shows that it also leads to the formation of developmental cataracts. This is presumably due to the effect of the lack of SIP1 on other genes, altering their downstream expression and is a novel insight into the importance of the SIP1 in the occurrence of ocular pathologies. To the best of our knowledge, this is the first case of bilateral developmental cataract in the context of MWS. Moreover, a novel mutation (p.Gln694Ter) in the ZEB2 gene was found corresponding to this syndrome entity. This report allows us to gain a more comprehensive insight into the genetic spectrum and the corresponding phenotypic features in MWS syndrome patients.
Circumferential Strain as a Marker of Vessel Reactivity in Patients with Intradialytic Hypotension
Authors: Goździk Maciej , Ustyniak Sergiusz , Zawiasa-Bryszewska Anna , Płuciennik Agnieszka , Nowicka Maja , Kaczmarska Magdalena , Stefańczyk Ludomir , Kurnatowska Ilona
Published: January 2023

Background and Objectives: Intradialytic hypotension (IDH) complicates 4 to 39.9% of hemodialysis (HD) sessions. Vessels’ reactivity disturbances may be responsible for this complication. Two-dimensional speckle tracking is used to assess arterial circumferential strain (CS) as a marker of the effectiveness of the cardiovascular response to the reduction of circulating plasma. Materials and Methods: The common carotid artery (CCA) and common iliac artery (CIA) CSs were recorded using ultrasonography in 68 chronically dialyzed patients before and after one HD session. Results: In patients with IDH episodes (n = 26), the CCA-CS was significantly lower both before (6.28 ± 2.34 vs. 4.63 ± 1.74 p = 0.003) and after HD (5.00 (3.53–6.78) vs. 3.79 ± 1.47 p = 0.010) than it was in patients without this complication. No relationship was observed between CIA-CS and IDH. IDH patients had a significantly higher UF rate; however, they did not differ compared to complication-free patients either in anthropometric or laboratory parameters. Conclusions: Patients with IDH were characterized by lower pre- and post-HD circumferential strain of the common carotid artery. The lower CCA-CS showed that impaired vascular reactivity is one of the most important risk factors for this complication’s occurrence.
Screening and Identification of Anti-Inflammatory Compounds from Erdong Gao via Multiple-Target-Cell Extraction Coupled with HPLC-Q-TOF-MS/MS and Their Structure–Activity Relationship
Authors: Li Mengyu , Luo Hui , Huang Zhen , Qi Jin , Yu Boyang
Published: January 2023

Erdong Gao (EDG), consisting equally of roots of Asparagi Radix and Ophiopogonis Radix, is a well-known traditional Chinese formulation that has been used to treat cough and throat pain for centuries. However, the bioactive components in EDG remain to be elucidated. In this study, a rapid and effective method involving live cell bio-specific extraction and HPLC-Q-TOF-MS/MS was established to rapidly screen and identify the anti-inflammatory compounds of an EDG extract. One hundred and twenty-four components were identified in EDG extract using HPLC-Q-TOF-MS/MS analysis. After co-incubation with 16HBE, HPAEpiCs and HUVECs, which have been validated as the key target cells for pulmonary diseases, sixteen components were demonstrated to exhibit an affinity for binding to them. Furthermore, fifteen components were subsequently verified to exert anti-inflammatory effects on lipopolysaccharide (LPS)-induced 16HBE, HPAEpiCs and HUVECs via inhibiting the release of TNF-α and IL-6, indicating that nine steroidal saponins may possess potential for the treatment of lung-related diseases. Taken together, our study provides evidence that live cell biospecific extraction combined with the HPLC-Q-TOF-MS/MS technique was an efficient method for rapid screening potential bioactive components in traditional Chinese medicines and the structure activity relationship of steroidal saponins in EDG was summarized for the first time.
Dummy Template-Based Molecularly Imprinted Membrane Coating for Rapid Analysis of Malachite Green and Its Metabolic Intermediates in Shrimp and Fish
Authors: Zhang Yi , Li Shaofeng , Gu Yurong , Zhang Jianying , Yue Zhenfeng , Ouyang Liao , Zhao Fengjuan
Published: January 2023

A novel malachite green molecularly imprinted membrane (MG-MIM) with specific selectivity for malachite green (MG) and leucomalachite green (LMG) was prepared using a hydrophobic glass fiber membrane as the polymer substrate, methyl violet as a template analog, 4-vinyl benzoic acid as the functional monomer, and ethyleneglycol dimethacrylate as the crosslinking agent. MG-MIM and non-imprinted membrane (NIM) were structurally characterized using scanning electron microscopy, surface area analyzer, Fourier-transform infrared spectrometer and synchronous thermal analyzer. The results showed that MG-MIM possessed a fluffier surface, porous and looser structure, and had good thermal stability. Adsorption properties of MG-MIM were investigated under optimal conditions, and adsorption equilibrium was reached in 20 min. The saturated adsorption capacities for MG and LMG were 24.25 ng·cm−2 and 13.40 ng·cm−2, and the maximum imprinting factors were 2.41 and 3.20, respectively. Issues such as “template leakage” and “embedding” were resolved. The specific recognition ability for the targets was good and the adsorption capacity was stable even after five cycles. The proposed method was successfully applied for the detection of MG and LMG in real samples, and it showed good linear correlation in the range of 0 to 10.0 μg·L−1 (R2 = 0.9991 and 0.9982), and high detection sensitivity (detection limits of MG and LMG of 0.005 μg/kg and 0.02 μg·kg−1 in shrimp, and 0.005 μg/kg and 0.02 μg/kg in fish sample). The recoveries and relative standard deviations were in the range of 76.31–93.26% and 0.73–3.72%, respectively. The proposed method provides a simple, efficient and promising alternative for monitoring MG and LMG in aquatic products.
Spectroscopic Investigations of Porphyrin-TiO2 Nanoparticles Complexes
Authors: Dinache Andra , Nistorescu Simona , Tozar Tatiana , Smarandache Adriana , Boni Mihai , Prepelita Petronela , Staicu Angela
Published: January 2023

This study presents the spectral characterization of TiO2 nanoparticles (NPs) functionalized with three porphyrin derivatives: 5,10,15,20-(Tetra-4-aminophenyl) porphyrin (TAPP), 5,10,15,20-(Tetra-4-methoxyphenyl) porphyrin (TMPP), and 5,10,15,20-(Tetra-4-carboxyphenyl) porphyrin (TCPP). UV-Vis absorption and Fourier transform infrared spectroscopy–attenuated total reflection (FTIR-ATR) spectroscopic studies of these porphyrins and their complexes with TiO2 NPs were performed. In addition, the efficiency of singlet oxygen generation, the key species in photodynamic therapy, was investigated. UV-Vis absorption spectra of the NPs complexes showed the characteristic bands of porphyrins. These allowed us to determine the loaded porphyrins on TiO2 NPs functionalized with porphyrins. FTIR-ATR revealed the formation of porphyrin-TiO2 complexes, suggesting that porphyrin adsorption on TiO2 may involve the pyrroles in the porphyrin ring, or the radicals of the porphyrin derivative. The quantum yield for singlet oxygen generation by the studied porphyrin complexes with TiO2 was higher compared to bare porphyrins for TAPP and TMPP, while for the TCPP-TiO2 NPs complex, a decrease was observed, but still maintained a good efficiency. The TiO2 NPs conjugates can be promising candidates to be tested in photodynamic therapy in vitro assays.
Nanocrystalline Skinnerite (Cu3SbS3) Prepared by High-Energy Milling in a Laboratory and an Industrial Mill and Its Optical and Optoelectrical Properties
Authors: Dutková Erika , Sayagués María Jesús , Fabián Martin , Baláž Matej , Kováč Jaroslav , Kováč Junior Jaroslav , Stahorský Martin , Achimovičová Marcela , Lukáčová Bujňáková Zdenka
Published: January 2023

Copper, antimony and sulfur in elemental form were applied for one-pot solid-state mechanochemical synthesis of skinnerite (Cu3SbS3) in a laboratory mill and an industrial mill. This synthesis was completed after 30 min of milling in the laboratory mill and 120 min in the industrial mill, as corroborated by X-ray diffraction. XRD analysis confirmed the presence of pure monoclinic skinnerite prepared in the laboratory mill and around 76% monoclinic skinnerite, with the secondary phases famatinite (Cu3SbS4; 15%), and tetrahedrite (Cu11.4Sb4S13; 8%), synthesized in the industrial mill. The nanocrystals were agglomerated into micrometer-sized grains in both cases. Both samples were nanocrystalline, as was confirmed with HRTEM. The optical band gap of the Cu3SbS3 prepared in the laboratory mill was determined to be 1.7 eV with UV–Vis spectroscopy. Photocurrent responses verified with I–V measurements under dark and light illumination and Cu3SbS3 nanocrystals showed ~45% enhancement of the photoresponsive current at a forward voltage of 0.6 V. The optical and optoelectrical properties of the skinnerite (Cu3SbS3) prepared via laboratory milling are interesting for photovoltaic applications.
Removal of Iodine-Containing X-ray Contrast Media from Environment: The Challenge of a Total Mineralization
Authors: Zhang Wei , Fourcade Florence , Amrane Abdeltif , Geneste Florence
Published: January 2023

Iodinated X-ray contrast media (ICM) as emerging micropollutants have attracted considerable attention in recent years due to their high detected concentration in water systems. It results in environmental issues partly due to the formation of toxic by-products during the disinfection process in water treatment. Consequently, various approaches have been investigated by researchers in order to achieve ICM total mineralization. This review discusses the different methods that have been used to degrade them, with special attention to the mineralization yield and to the nature of formed by-products. The problem of pollution by ICM is discussed in the first part dedicated to the presence of ICM in the environment and its consequences. In the second part, the processes for ICM treatment including biological treatment, advanced oxidation/reductive processes, and coupled processes are reviewed in detail. The main results and mechanisms involved in each approach are described, and by-products identified during the different treatments are listed. Moreover, based on their efficiency and their cost-effectiveness, the prospects and process developments of ICM treatment are discussed.
Phytochemicals Derived from Agricultural Residues and Their Valuable Properties and Applications
Authors: Oleszek Marta , Kowalska Iwona , Bertuzzi Terenzio , Oleszek Wiesław
Published: January 2023

Billions of tons of agro-industrial residues are produced worldwide. This is associated with the risk of pollution as well as management and economic problems. Simultaneously, non-edible portions of many crops are rich in bioactive compounds with valuable properties. For this reason, developing various methods for utilizing agro-industrial residues as a source of high-value by-products is very important. The main objective of the paper is a review of the newest studies on biologically active compounds included in non-edible parts of crops with the highest amount of waste generated annually in the world. The review also provides the newest data on the chemical and biological properties, as well as the potential application of phytochemicals from such waste. The review shows that, in 2020, there were above 6 billion tonnes of residues only from the most popular crops. The greatest amount is generated during sugar, oil, and flour production. All described residues contain valuable phytochemicals that exhibit antioxidant, antimicrobial and very often anti-cancer activity. Many studies show interesting applications, mainly in pharmaceuticals and food production, but also in agriculture and wastewater remediation, as well as metal and steel industries.
Prototropy, Intramolecular Interactions, Electron Delocalization, and Physicochemical Properties of 1,8-dihydroxy-9-anthrone—DFT-D3 Study of Substituent Effects
Authors: Szymańska Małgorzata , Majerz Irena
Published: January 2023

1,8-dihydroxy-9-anthrone are tricyclic compounds with a ketone group in the middle ring and two hydroxyl groups substituted in the side-aromatic rings what results in formation of two intramolecular hydrogen bonds in which the oxygen atom from the ketone group is the proton acceptor. 1,8-dihydroxy-9-anthrones in which intramolecular proton transfer between C10 and CO in the middle ring occurs, can exist in a tautomeric keto-enol equilibrium. For anthralin, the most important representative of this group, this equilibrium has been studied previously, but it has not been studied for its derivatives. Substituents in the middle ring change the geometry of 1,8-dihydroxy-9-anthrones so they are also expected to affect the keto-enol equilibrium. It is also important to study the effect of intramolecular hydrogen bonds on the structure of both tautomeric forms. It was found that the nature of the substituent in the middle ring could affect the antioxidant properties of the investigated compound.
Design of κ-Opioid Receptor Agonists for the Development of Potential Treatments of Pain with Reduced Side Effects
Authors: Santino Federica , Gentilucci Luca
Published: January 2023

The κ-opioid receptor (KOR) has recently emerged as an alternative therapeutic target for the development of pain medications, without deleterious side effects associated with the μ-opioid receptor (MOR). However, modulation of KOR is currently under investigation for the treatment of depression, mood disorders, psychiatric comorbidity, and specific drug addictions. However, KOR agonists also trigger adverse effects including sedation, dysphoria, and hallucinations. In this respect, there is currently much debate on alternative paradigms. Recent effort has been devoted in search of biased ligands capable of selectively activating favorable signaling over signaling associated with unwanted side effects. On the other hand, the use of partial agonists is expected to allow the analgesia to be produced at dosages lower than those required to produce the adverse effects. More empirically, the unwanted central effects can be also avoided by using peripherally restricted agonists. In this review, we discuss the more recent trends in the design of KOR-selective, biased or partial, and finally, peripherally acting agonists. Special emphasis is given on the discussion of the most recent approaches for controlling functional selectivity of KOR-specific ligands.
Structural Evolution and Electronic Properties of Selenium-Doped Boron Clusters SeBn0/− (n = 3–16)
Authors: Yang Yue-Ju , Li Shi-Xiong , Chen De-Liang , Long Zheng-Wen
Published: January 2023

A theoretical research of structural evolution, electronic properties, and photoelectron spectra of selenium-doped boron clusters SeBn0/− (n = 3–16) is performed using particle swarm optimization (CALYPSO) software in combination with density functional theory calculations. The lowest energy structures of SeBn0/− (n = 3–16) clusters tend to form quasi-planar or planar structures. Some selenium-doped boron clusters keep a skeleton of the corresponding pure boron clusters; however, the addition of a Se atom modified and improved some of the pure boron cluster structures. In particular, the Se atoms of SeB7−, SeB8−, SeB10−, and SeB12− are connected to the pure quasi-planar B7−, B8−, B10−, and B12− clusters, which leads to planar SeB7−, SeB8−, SeB10−, and SeB12−, respectively. Interestingly, the lowest energy structure of SeB9− is a three-dimensional mushroom-shaped structure, and the SeB9− cluster displays the largest HOMO–LUMO gap of 5.08 eV, which shows the superior chemical stability. Adaptive natural density partitioning (AdNDP) bonding analysis reveals that SeB8 is doubly aromatic, with 6 delocalized π electrons and 6 delocalized σ electrons, whereas SeB9− is doubly antiaromatic, with 4 delocalized π electrons and 12 delocalized σ electrons. Similarly, quasi-planar SeB12 is doubly aromatic, with 6 delocalized π electrons and 14 delocalized σ electrons. The electron localization function (ELF) analysis shows that SeBn0/− (n = 3–16) clusters have different local electron delocalization and whole electron delocalization effects. The simulated photoelectron spectra of SeBn− (n = 3–16) have different characteristic bands that can identify and confirm SeBn− (n = 3–16) combined with future experimental photoelectron spectra. Our research enriches the geometrical structures of small doped boron clusters and can offer insight for boron-based nanomaterials.
A Novel Sodium Alginate-Carnauba Wax Film Containing Calcium Ascorbate: Structural Properties and Preservative Effect on Fresh-Cut Apples
Authors: Lin Ximeng , Zhang Hanyu , Guo Xi , Qin Yimin , Shen Peili , Peng Qiang
Published: January 2023

In order to improve the mechanical properties, nutritional value and fresh-keeping ability of conventional sodium alginate edible composite membranes, a new type of edible composite film was prepared by adding water-blocking agent carnauba wax, plasticizer glycerin, antioxidant and nutritional enhancer sodium ascorbate on a basis of traditional sodium alginate composite film. In this study, the physical, mechanical and structural properties of different film components were investigated. The results showed the components did not simply combine, but produced interaction forces which improved the stability and mechanical properties of composite film. When the amount of calcium ascorbate was 0.4%, the water vapor transmittance of the composite film reached a minimum of 0.65 g·mm/(cm2·d·kPa), and the tensile strength and elongation at break reached the maximum, which were 398.64 MPa and 17.93%, respectively. Additionally, the sodium alginate-carnauba wax film exhibited better performance on the preservation of fresh-cut apples. Compared with other composite films, the color and hardness of fresh-cut apples coated with this composite film were better maintained, and the losses of titration acid content and soluble solid content were reduced. Moreover, the weight loss rate, increase in polyphenol oxidase activity and total colony count were inhibited. All results determined that the edible film has good application value in the field of fresh-cut fruit preservation, which provides a theoretical basis for further research on edible film.
Traveling across Life Sciences with Acetophenone—A Simple Ketone That Has Special Multipurpose Missions
Authors: Zubkov Fedor I. , Kouznetsov Vladimir V.
Published: January 2023

Each metabolite, regardless of its molecular simplicity or complexity, has a mission or function in the organism biosynthesizing it. In this review, the biological, allelochemical, and chemical properties of acetophenone, as a metabolite involved in multiple interactions with various (mi-cro)organisms, are discussed. Further, the details of its biogenesis and chemical synthesis are provided, and the possibility of its application in different areas of life sciences, i.e., the status quo of acetophenone and its simple substituted analogs, is examined. In particular, natural and synthetic simple acetophenone derivatives are analyzed as promising agrochemicals and useful scaffolds for drug research and development.
Single or Daily Application of Topical Curcumin Prevents Ultraviolet B-Induced Apoptosis in Mice
Authors: Djawad Khairuddin , Patellongi Ilham Jaya , Miskad Upik Anderiani , Massi Muhammad Nasrum , Yusuf Irawan , Faruk Muhammad
Published: January 2023

Curcumin is a natural ingredient with antioxidant effects, widely studied as a treatment for various types of cancer. However, its effects on ultraviolet radiation have not been fully explored. The effects of single or daily application of 0.1–100 μM curcumin on cell apoptosis in ultraviolet B (UVB)-induced mice were tested using an experimental double-blind posttest design with a control group and two research models: a single application of curcumin before a single UVB exposure and daily application of curcumin for 7 days before a single UVB exposure on the seventh day. Apoptotic cells were counted using a tunnel system kit. The number of apoptotic cells under a single or daily application of curcumin for 7 days was significantly lower than that of the UVB controls (p ≤ 0.05). The number of apoptotic cells decreased with the increasing concentration of curcumin, and the maximum effect was observed at 100 μM. Daily application of topical curcumin was superior in preventing apoptosis (mean apoptotic cell count of 14.86 ± 1.68) compared with a single application (17.46 ± 0.60; p = 0.011). Topical curcumin can act as a potential photoprotective agent in preventing cutaneous malignancies due to UVB radiation. Further studies are warranted, especially in humans.
Exploration of the Corrosion Behavior of Electroless Plated Ni-P Amorphous Alloys via X-ray Photoelectron Spectroscopy
Authors: Li Zhizhen , Bian Chaoqun , Hu Lingxia
Published: January 2023

A Ni-P amorphous alloy was deposited on a low carbon steel substrate via electroless plating. Further, the prepared samples were crystallized under the high temperature with a range from 200 °C to 500 °C in air for 1 h. The crystallization process was studied via XRD, AFM, and XPS, and anodic electrochemical behavior was investigated by potentiostatic methods in a 3.5 wt% NaCl solution. The experimental results indicate that the diffusion, dissolution, and enrichment of the component elements in the Ni-P alloy are essential during crystallization because the various corrosion behaviors corresponding to Ni and P are directly affected. More importantly, under the 400 °C treatment, H2PO2− was enriched in the alloy, which effectively hinders the anodic dissolution of nickel and forms a complete adsorption layer on the surface of the alloy. Our results demonstrate that P can effectively block the anodic dissolution of Ni during the corrosion process, and the crystallization process can effectively promote the surface enrichment of P to improve the corrosion resistance of the coating.
The Pro-Oxidant Effect of Class A CpG ODNs on Human Neutrophils Includes Both Non-Specific Stimulation of ROS Production and Structurally Determined Induction of NO Synthesis
Authors: Golenkina Ekaterina A. , Galkina Svetlana I. , Viryasova Galina M. , Sud’ina Galina F.
Published: January 2023

Synthetic CpG oligonucleotides are promising components of immunomodulatory drugs for the treatment and prophylaxis of infectious diseases, cancers, and allergies. Phosphorothioate modification stabilizes these compounds, contributing to the achievement of a clinical effect, but at the same time changes their immunomodulatory properties. We used the diffusible fluorescent dye dihydroethidium and the non-diffusible 6-carboxy-2′,7′dihydrochlorofluorescein diacetate and cytochrome c probes to demonstrate that it is the phosphorothioate backbones that determine the pronounced nonspecific pro-oxidant effect of CpG ODN on neutrophils. At the same time, as was shown using diaminofluorescein diacetate, the potentiation of nitric oxide synthesis in these leucocytes by CpG ODN class A strictly depends on the presence of CpG motifs and a palindromic “hairpin”. The results obtained will contribute to a more complete understanding of the physiological action of therapeutic agents based on synthetic CpG oligonucleotides.
Potential Biomedical Applications of Modified Pectin as a Delivery System for Bioactive Substances
Authors: Odun-Ayo Frederick , Reddy Lalini
Published: January 2023

Pectin is a polysaccharide that has been recently gaining attention because it is renewable, inexpensive, biocompatible, degradable, non-toxic, non-polluting, and has mechanical integrity. The recent extraction techniques and modification to the structural property of pectin have led to the modified pectin whose chemical and surface functional groups yield galacturonic acid and galactose contents which are primarily responsible for its improved and better use in biomedical applications including drug delivery and thus producing high-value products. Major attention on modified pectin has been focused on the aspect of its bioactive functionalities that opposes cancer development. Nevertheless, modified pectin can be combined with a wide range of biopolymers with unique characteristics and activities which thus enhances its application in different areas. This has enabled the current applications of modified pectin through different approaches in addition to the prominent anti-cancer functional capabilities, which were reviewed. Furthermore, this paper highlights the potential of modified pectin as a delivery system of bioactive substances, its synergistic and prebiotic effects, gut microbiota effect and antiviral properties amongst other roles applicable in the biomedical and pharmaceutical industries.
Impacts of Loss of Cryosphere in the High Mountains of Northwest North America
Authors: Clague John J. , Shugar Dan H.
Published: January 2023

Global atmospheric warming is causing physical and biotic changes in Earth’s high mountains at a rate that is likely unprecedented in the Holocene. We summarize changes in the presently glacierized mountains of northwest North America, including a rapid and large reduction in glacier ice and permafrost, a related increase in slope instability and landslides, river re-routing and other hydrological changes, and changing aquatic ecosystems. Atmospheric greenhouse gas concentrations continue to rise and will likely do so for at least the next several decades, if not longer, and mountains will continue to warm, perhaps reaching temperatures up to several degrees Celsius warmer than present over the remainder of this century. As a result, the rate of physical and biotic changes documented in this paper is very likely to dramatically increase and transform high-mountain environments.
Wide-Range Humidity–Temperature Hybrid Flexible Sensor Based on Strontium Titanate and Poly 3,4 Ethylenedioxythiophene Polystyrene Sulfonate for Wearable 3D-Printed Mask Applications
Authors: Ahmed Adnan , Soomro Afaque Manzoor , Kumar Darshan , Waqas Muhammad , Memon Kashif Hussain , Ahmed Faheem , Kumar Suresh , Ashraf Hina , Choi Kyung Hyun
Published: January 2023

In this paper, we report a fast, linear wide-range hybrid flexible sensor based on a novel composite of strontium titanate (SrTiO3) and poly 3,4 ethylenedioxythiophene polystyrene sulfonate (PEDOT: PSS) as a sensing layer. Inter-digitate electrodes (IDEs) were printed for humidity monitoring (finger: 250 µm; spacing: 140 µm; length: 8 mm) whilst a meander-based pattern was printed for the temperature measurement (meander thickness: 180 µm; spacing: 400 µm) on each side of the PET substrate using silver ink. Moreover, active layers with different concentration ratios were coated on the electrodes using a spray coating technique. The as-developed sensor showed an excellent performance, with a humidity measurement range of (10–90% RH) and temperature measurement range of (25–90 °C) with a fast response (humidity: 5 s; temperature: 4.2 s) and recovery time (humidity: 8 s; temperature: 4.4 s). The reliability of the sensor during mechanical bending of up to 5.5 mm was validated with a reliable performance. The sensor was also used in real-world applications to measure human respiration. For this, a suggested sensor-based autonomous wireless node was included in a 3D-printed mask. The manufactured sensor was an excellent contender for wearable and environmental applications because of its exceptional performance, which allowed for the simultaneous measurement of both quantities by a single sensing device.
A Smart Technology Intervention in the Homes of People with Mental Illness and Physical Comorbidities
Authors: Forchuk Cheryl , Rudnick Abraham , Corring Deborah , Lizotte Daniel , Hoch Jeffrey S. , Booth Richard , Frampton Barbara , Mann Rupinder , Serrato Jonathan
Published: January 2023

Appropriate support in the home may not be readily available for people living in the community with mental illness and physical comorbidities. This mixed-method study evaluated a smart home technology intervention for individuals within this population as well as providing health care providers with health monitoring capabilities. The study recruited 13 participants who were offered a smartphone, a touchscreen monitor, and health devices, including smartwatches, weigh scales, and automated medication dispensers. Healthcare providers were able to track health device data, which were synchronized with the Lawson Integrated DataBase. Participants completed interviews at baseline as well as at 6-month and 12-month follow-ups. Focus groups with participants and care providers were conducted separately at 6-month and 12-month time points. As the sample size was too small for meaningful statistical inference, only descriptive statistics were presented. However, the qualitative analyses revealed improvements in physical and mental health, as well as enhanced communication with care providers and friends/family. Technical difficulties and considerations are addressed. Ethics analyses revealed advancement in equity and fairness, while policy analyses revealed plentiful opportunities for informing policymakers. The economic costs are also discussed. Further studies and technological interventions are recommended to explore and expand upon in-home technologies that can be easily implemented into the living environment.
Measurement of Gradient Strain Fields with Fiber-Optic Sensors
Authors: Matveenko Valerii , Kosheleva Natalia , Serovaev Grigorii , Fedorov Andrey
Published: January 2023

The results of measuring gradient strain fields by embedded or mounted point fiber-optic sensors based on Bragg gratings and distributed fiber-optic sensors based on Rayleigh scattering are discussed. Along with the experiment, the results of numerical modeling of strain measurement errors associated with the assumption of uniaxial stress state in the area of the embedded Bragg grating and measurement errors by distributed fiber-optic sensors associated with gage length are presented. Experimental results are presented for 3D printed samples and samples made of polymer composite material. The geometry of the samples was chosen based on the results of numerical simulations, and provides different variants of non-uniform strain distribution under uniaxial tension, including the variant in which the derivative of the strain distribution function changes its sign. A good agreement of numerical results and experimental data obtained by distributed and point fiber-optic sensors in areas where the derivative of the strain distribution function keeps a sign and an increase in the error of strain measurement results by distributed fiber-optic sensors in areas where this derivative changes sign are demonstrated.
Weight Adaptive Path Tracking Control for Autonomous Vehicles Based on PSO-BP Neural Network
Authors: Tang Xianzhi , Shi Longfei , Wang Bo , Cheng Anqi
Published: January 2023

In order to improve the tracking adaptability of autonomous vehicles under different vehicle speeds and road curvature, this paper develops a weight adaptive model prediction control system (AMPC) based on PSO-BP neural network, which consists of a dynamics-based model prediction controller (MPC) and an optimal weight adaptive regulator. Based on the application of MPC to achieve high-precision tracking control, the optimal weight under different operating conditions obtained by automated simulation is used to train the PSO-BP neural network offline to achieve online adjustment of MPC weight. The validation results of the Prescan-Carsim-Simulink joint simulation platform show that the adaptive control system has better tracking adaptation capability compared with the original classical MPC control. The control strategy was also verified on an autonomous vehicle test platform, and the test results showed that the adaptive control strategy improved tracking accuracy while meeting the vehicle’s requirements for real-time control and lateral stability.