bluuebunny/crossref_metadata_2025 huggingface dataset:
The Highly Accurate Interatomic Potential of CsPbBr3 Perovskite with Temperature Dependence on the Structure and Thermal Properties
Authors: You Qianyu , Gu Shun , Gou Xiaofan
Published: March 2023

CsPbBr3 perovskite has excellent optoelectronic properties and many important application prospects in solar cells, photodetectors, high-energy radiation detectors and other fields. For this kind of perovskite structure, to theoretically predict its macroscopic properties through molecular dynamic (MD) simulations, a highly accurate interatomic potential is first necessary. In this article, a new classical interatomic potential for CsPbBr3 was developed within the framework of the bond-valence (BV) theory. The optimized parameters of the BV model were calculated through first-principle and intelligent optimization algorithms. Calculated lattice parameters and elastic constants for the isobaric–isothermal ensemble (NPT) by our model are in accordance with the experimental data within a reasonable error and have a higher accuracy than the traditional Born–Mayer (BM) model. In our potential model, the temperature dependence of CsPbBr3 structural properties, such as radial distribution functions and interatomic bond lengths, was calculated. Moreover, the temperature-driven phase transition was found, and the phase transition temperature was close to the experimental value. The thermal conductivities of different crystal phases were further calculated, which agreed with the experimental data. All these comparative studies proved that the proposed atomic bond potential is highly accurate, and thus, by using this interatomic potential, the structural stability and mechanical and thermal properties of pure inorganic halide and mixed halide perovskites can be effectively predicted.
Properties and Microstructure Evaluation in NiAl-xWC (x = 0 − 90 wt.%) Intermetallic-Based Composites Prepared by Mechanical Alloying
Authors: Piechowiak Daria , Kania Albert , Łukaszkiewicz Natalia , Miklaszewski Andrzej
Published: March 2023

In this work, NiAl-xWC (x = 0 − 90 wt.% WC) intermetallic-based composites were successfully synthesized by mechanical alloying (MA) and a hot-pressing approach. As initial powders, a mixture of nickel, aluminum and tungsten carbide was used. The phase changes in analyzed systems after mechanical alloying and hot pressing were evaluated by an X-ray diffraction method. Scanning electron microscopy and hardness test examination were used for evaluating microstructure and properties for all fabricated systems from the initial powder to the final sinter stage. The basic sinter properties were evaluated to estimate their relative densities. Synthesized and fabricated NiAl-xWC composites showed an interesting relationship between the structure of the constituting phases, analyzed by planimetric and structural methods and sintering temperature. The analyzed relationship proves that the structural order reconstructed by sintering strongly depends on the initial formulation and its decomposition after MA processing. The results confirm that it is possible to obtain an intermetallic NiAl phase after 10 h of MA. For processed powder mixtures, the results showed that increased WC content intensifies fragmentation and structural disintegration. The final structure of the sinters fabricated in lower (800 °C) and higher temperature regimes (1100 °C), consisted of recrystallized NiAl and WC phases. The macro hardness of sinters obtained at 1100 °C increased from 409 HV (NiAl) to 1800 HV (NiAl + 90% WC). Obtained results reveal a new applicable perspective in the field of intermetallic-based composites and remain highly anticipated for possible application in severe-wear or high-temperature conditions.
Preface to “Swarm and Evolutionary Computation—Bridging Theory and Practice”
Authors: Kim Yong-Hyuk , Caraffini Fabio
Published: March 2023

Swarm and evolutionary computation (SEC) [...]
Structural Topology Optimization with Local Finite-Life Fatigue Constraints
Authors: Teng Xiaoyan , Wang Can , Jiang Xudong , Chen Xiangyang
Published: March 2023

To improve the fatigue resistance of engineering structures, topology optimization has always been an effective design strategy. The direct calculation of large-scale local fatigue constraints remains a challenge due to high computational cost. In the past, the constraint aggregation techniques, such as the P-norm method, were often applied to aggregate local fatigue constraints into a global constraint, whereas the resultant optimal solution was not consistent with the original problem. In order to meet the local fatigue constraints accurately and reduce the number of constraints, the augmented Lagrangian scheme is employed to transform the original problem into the unconstrained problem. To evaluate the fatigue strength at every material point of structures under the proportional load with variable amplitude, we adopt the Sines fatigue criterion based on the Palmgren–Miner linear damage assumption. In addition, we solve the fatigue-constrained topology optimization problem on the unstructured polygonal meshes, which are not sensitive to numerical instabilities, such as checkerboard patterns, compared with lower-order triangular and bilateral meshes. We provide some numerical examples to validate the potential of the presented method to solve the fatigue-constrained topology optimization problem. Numerical results demonstrate that the optimized designs considering local fatigue constraints have a higher ratio of fatigue resistance to material consumption than those obtained through the traditional P-norm method. Therefore, the proposed approach retaining the local nature of fatigue constraints is more beneficial for realizing the efficient material utilization in structural topology.
Resveratrol Ameliorates Vancomycin-Induced Testicular Dysfunction in Male Rats
Authors: Alshehri Fahad S.
Published: March 2023

Background and Objectives: Numerous studies have indicated that antibiotics may adversely affect testicular and sperm function. As an alternative to penicillin, vancomycin is a glycopeptide antibiotic developed to treat resistant strains of Staphylococcus aureus. A few studies have suggested that vancomycin could cause testicular toxicity and apoptosis. Vancomycin, however, has not been investigated in terms of its mechanism of causing testicular toxicity. Materials and Methods: An experiment was conducted to investigate the effects of resveratrol (20 mg/kg, oral gavage) against vancomycin (200 mg/kg, i.p.) on the testicular function of Wistar rats for one week (7 days). There were three subgroups of animals. First, saline (i.p.) was administered to the control group. Then, in the second group, vancomycin was administered. Finally, vancomycin and resveratrol were administered in combination in the third group. Results: After seven days of vancomycin treatment, testosterone levels, sperm counts, and sperm motility were significantly reduced, but resveratrol attenuated the effects of vancomycin and restored the testosterone levels, sperm counts, and sperm motility to normal. In the presence of resveratrol, the vancomycin effects were attenuated, and the luteinizing hormone and follicular hormone levels were normalized after seven days of treatment with vancomycin. Histologically, vancomycin administration for seven days caused damage to testicular tissues and reduced the thickness of the basal lamina. However, the resveratrol administration with vancomycin prevented vancomycin’s toxic effects on testicular tissue. Conclusion: Resveratrol showed potential protective effects against vancomycin-induced testicular toxicity in Wistar rats.
Evaluation of Shifts of Gene Transcription Levels of Unicellular Green Alga Chlamydomonas reinhardtii Due to UV-C Irradiation
Authors: Nakanishi Akihito , Ozawa Nanami , Watanabe Masahiko
Published: March 2023

Green algae produce valuable lipids as carbon-recycling resources. Collecting whole cells with the intracellular lipids could be efficient without cell burst; however, direct use of the cells causes microbial contamination in environments. Then, UV-C irradiation was selected to satisfy the requirements of avoiding the cell burst and sterilizing cells with Chlamydomonas reinhardtii. UV-C irradiation with 1.209 mW·cm−2 showed enough sterilization activity for 1.6 × 107 cells·mL−1 of C. reinhardtii in a depth of 5 mm for 10 min. The irradiation showed no effects to composition and contents of the intracellular lipids. From the viewpoint of transcriptomic analysis, the irradiation displayed possibilities of (i) inhibition of the synthesis of lipids due to decrement of the transcription of related genes, such as diacylglycerol acyl transferase and cyclopropane fatty acid synthase, and (ii) activation of lipid degradation and the production of NADH2+ and FADH2 due to increment of the transcription of related genes, such as isocitrate dehydrogenase, dihydrolipoamide dehydrogenase and malate dehydrogenase. Irradiation until cell death could be insufficient to shift the metabolic flows even though the transcriptions were already shifted to lipid degradation and energy production. This paper is the first report of the response of C. reinhardtii to UV-C irradiation on the transcription level.
Design of Novel Phosphatidylinositol 3-Kinase Inhibitors for Non-Hodgkin’s Lymphoma: Molecular Docking, Molecular Dynamics, and Density Functional Theory Studies on Gold Nanoparticles
Authors: Ali Abdalrahim M. , Makki Alaa A. , Ibraheem Walaa , Abdelrahman Mohammed , Osman Wadah , Sherif Asmaa E. , Ashour Ahmed , Ibrahim Sabrin R. M. , Ghazawi Kholoud F. , Samman Waad A. , Alzain Abdulrahim A.
Published: March 2023

Non-Hodgkin’s lymphomas are a diverse collection of lymphoproliferative cancers that are much less predictable than Hodgkin’s lymphomas with a far greater tendency to metastasize to extranodal sites. A quarter of non-Hodgkin’s lymphoma cases develop at extranodal sites and the majority of them involve nodal and extranodal sites. The most common subtypes include follicular lymphoma, chronic/small lymphocytic leukaemia, mantel cell lymphoma, and marginal zone lymphoma. Umbralisib is one of the latest PI3Kδ inhibitors in clinical trials for several hematologic cancer indications. In this study, new umbralisib analogues were designed and docked to the active site of PI3Kδ, the main target of the phosphoinositol-3-kinase/Akt/mammalian target of the rapamycin pathway (PI3K/AKT/mTOR). This study resulted in eleven candidates, with strong binding to PI3Kδ with a docking score between −7.66 and −8.42 Kcal/mol. The docking analysis of ligand–receptor interactions between umbralisib analogues bound to PI3K showed that their interactions were mainly controlled by hydrophobic interactions and, to a lesser extent, by hydrogen bonding. In addition, the MM-GBSA binding free energy was calculated. Analogue 306 showed the highest free energy of binding with −52.22 Kcal/mol. To identify the structural changes and the complexes’ stability of proposed ligands, molecular dynamic simulation was used. Based on this research finding, the best-designed analogue, analogue 306, formed a stable ligand–protein complex. In addition, pharmacokinetics and toxicity analysis using the QikProp tool demonstrated that analogue 306 had good absorption, distribution, metabolism, and excretion properties. Additionally, it has a promising predicted profile in immune toxicity, carcinogenicity, and cytotoxicity. In addition, analogue 306 had stable interactions with gold nanoparticles that have been studied using density functional theory calculations. The best interaction with gold was observed at the oxygen atom number 5 with −29.42 Kcal/mol. Further in vitro and in vivo investigations are recommended to be carried out to verify the anticancer activity of this analogue.
Enhancing Third-Order Nonlinear Optical Property by Regulating Interaction between Zr4(embonate)6 Cage and N, N-Chelated Transition-Metal Cation
Authors: Xiang Gang , Li Na , Chen Guang-Hui , Li Qiao-Hong , Chen Shu-Mei , He Yan-Ping , Zhang Jian
Published: March 2023

Herein, the combination of anionic Zr4L6 (L = embonate) cages and N, N-chelated transition-metal cations leads to a series of new cage-based architectures, including ion pair structures (PTC-355 and PTC-356), dimer (PTC-357), and 3D frameworks (PTC-358 and PTC-359). Structural analyses show that PTC-358 exhibits a 2-fold interpenetrating framework with a 3,4-connected topology, and PTC-359 shows a 2-fold interpenetrating framework with a 4-connected dia network. Both PTC-358 and PTC-359 can be stable in air and other common solvents at room temperature. The investigations of third-order nonlinear optical (NLO) properties indicate that these materials show different degrees of optical limiting effects. It is surprising that increasing coordination interactions between anion and cation moieties can effectively enhance their third-order NLO properties, which can be attributed to the formation of coordination bonds that facilitate charge transfer. In addition, the phase purity, UV-vis spectra, and photocurrent properties of these materials were also studied. This work provides new ideas for the construction of third-order NLO materials.
Development of Highly Efficient Estrogen Receptor β-Targeted Near-Infrared Fluorescence Probes Triggered by Endogenous Hydrogen Peroxide for Diagnostic Imaging of Prostate Cancer
Authors: He Pei , Deng Xiaofei , Xu Bin , Xie Baohua , Zou Wenting , Zhou Haibing , Dong Chune
Published: March 2023

Hydrogen peroxide is one of the most important reactive oxygen species, which plays a vital role in many physiological and pathological processes. A dramatic increase in H2O2 levels is a prominent feature of cancer. Therefore, rapid and sensitive detection of H2O2 in vivo is quite conducive to an early cancer diagnosis. On the other hand, the therapeutic potential of estrogen receptor beta (ERβ) has been implicated in many diseases including prostate cancer, and this target has attracted intensive attention recently. In this work, we report the development of the first H2O2-triggered ERβ-targeted near-infrared fluorescence (NIR) probe and its application in imaging of prostate cancer both in vitro and in vivo. The probe showed good ERβ selective binding affinity, excellent H2O2 responsiveness and near infrared imaging potential. Moreover, in vivo and ex vivo imaging studies indicated that the probe could selectively bind to DU-145 prostate cancer cells and rapidly visualizes H2O2 in DU-145 xenograft tumors. Mechanistic studies such as high-resolution mass spectrometry (HRMS) and density functional theory (DFT) calculations indicated that the borate ester group is vital for the H2O2 response turn-on fluorescence of the probe. Therefore, this probe might be a promising imaging tool for monitoring the H2O2 levels and early diagnosis studies in prostate cancer research.
RETRACTED: A Mendelian Randomization Analysis Investigates Causal Associations between Inflammatory Bowel Diseases and Variable Risk Factors
Authors: Saadh Mohamed , Pal Rashmi , Arias-Gonzáles José , Orosco Gavilán Juan , JC Darshan , Mohany Mohamed , Al-Rejaie Salim , Bahrami Abolfazl , Kadham Mustafa , Amin Ali , Georgia Hrosti
Published: March 2023

The question of whether variable risk factors and various nutrients are causally related to inflammatory bowel diseases (IBDs) has remained unanswered so far. Thus, this study investigated whether genetically predicted risk factors and nutrients play a function in the occurrence of inflammatory bowel diseases, including ulcerative colitis (UC), non-infective colitis (NIC), and Crohn’s disease (CD), using Mendelian randomization (MR) analysis. Utilizing the data of genome-wide association studies (GWASs) with 37 exposure factors, we ran Mendelian randomization analyses based on up to 458,109 participants. Univariable and multivariable MR analyses were conducted to determine causal risk factors for IBD diseases. Genetic predisposition to smoking and appendectomy as well as vegetable and fruit intake, breastfeeding, n-3 PUFAs, n-6 PUFAs, vitamin D, total cholesterol, whole-body fat mass, and physical activity were related to the risk of UC (p < 0.05). The effect of lifestyle behaviors on UC was attenuated after correcting for appendectomy. Genetically driven smoking, alcohol consumption, appendectomy, tonsillectomy, blood calcium, tea intake, autoimmune diseases, type 2 diabetes, cesarean delivery, vitamin D deficiency, and antibiotic exposure increased the risk of CD (p < 0.05), while vegetable and fruit intake, breastfeeding, physical activity, blood zinc, and n-3 PUFAs decreased the risk of CD (p < 0.05). Appendectomy, antibiotics, physical activity, blood zinc, n-3 PUFAs, and vegetable fruit intake remained significant predictors in multivariable MR (p < 0.05). Besides smoking, breastfeeding, alcoholic drinks, vegetable and fruit intake, vitamin D, appendectomy, and n-3 PUFAs were associated with NIC (p < 0.05). Smoking, alcoholic drinks, vegetable and fruit intake, vitamin D, appendectomy, and n-3 PUFAs remained significant predictors in multivariable MR (p < 0.05). Our results provide new and comprehensive evidence demonstrating that there are approving causal effects of various risk factors on IBDs. These findings also supply some suggestions for the treatment and prevention of these diseases.
Macauba (Acrocomia aculeata) Pulp Oil Prevents Adipogenesis, Inflammation and Oxidative Stress in Mice Fed a High-Fat Diet
Authors: Sant’ Ana Cíntia Tomaz , Agrizzi Verediano Thaísa , Grancieri Mariana , Toledo Renata Celi Lopes , Tako Elad , Costa Neuza Maria Brunoro , Martino Hércia Stampini Duarte , de Barros Frederico Augusto Ribeiro
Published: March 2023

Macauba is a palm tree native to Brazil, which fruits are rich in oil. Macauba pulp oil has high contents of oleic acid, carotenoids, and tocopherol, but its effect on health is unknown. We hypothesized that macauba pulp oil would prevent adipogenesis and inflammation in mice. Thus, the purpose of this study was to evaluate the effects of macauba pulp oil on the metabolic changes in C57Bl/6 mice fed a high-fat diet. Three experimental groups were used (n = 10): control diet (CD), high-fat diet (HFD), and high-fat diet with macauba pulp oil (HFM). The HFM reduced malondialdehyde and increased SOD activity and antioxidant capacity (TAC), showing high positive correlations between total tocopherol, oleic acid, and carotenoid intakes and SOD activity (r = 0.9642, r = 0.8770, and r = 0.8585, respectively). The animals fed the HFM had lower levels of PPAR-γ and NF-κB, which were negatively correlated with oleic acid intake (r = −0.7809 and r = −0.7831, respectively). Moreover, the consumption of macauba pulp oil reduced inflammatory infiltrate, adipocyte number and length, (mRNA) TNF-α, and (mRNA) SREBP-1c in the adipose tissue, and it increased (mRNA) Adiponectin. Therefore, macauba pulp oil prevents oxidative stress, inflammation, and adipogenesis and increases antioxidant capacity; these results highlight its potential against metabolic changes induced by an HFD.
Gamma-Muricholic Acid Inhibits Nonalcoholic Steatohepatitis: Abolishment of Steatosis-Dependent Peroxidative Impairment by FXR/SHP/LXRα/FASN Signaling
Authors: Xie Yang , Shen Feng , He Yafang , Guo Canjie , Yang Ruixu , Cao Haixia , Pan Qin , Fan Jiangao
Published: March 2023

Nonalcoholic steatohepatitis (NASH) reflects the outcome of steatosis-based peroxidative impairment. Here, the effect and mechanism of γ-muricholic acid (γ-MCA) on NASH were investigated on the basis of its actions in hepatic steatosis, lipid peroxidation, peroxidative injury, hepatocyte apoptosis, and its NAFLD activity score (NAS). The agonist action of γ-MCA on farnesoid X receptor (FXR) upregulated the small heterodimer partner (SHP) expression of hepatocytes. An increase in SHP attenuated the triglyceride-dominated hepatic steatosis which was induced in vivo by a high-fat high-cholesterol (HFHC) diet and in vitro by free fatty acids depending on the inhibition of liver X receptor α (LXRα) and fatty acid synthase (FASN). In contrast, FXR knockdown abrogated the γ-MCA-dependent lipogenic inactivation. When compared to their excessive production in HFHC diet-induced rodent NASH, products of lipid peroxidation (MDA and 4-HNE) exhibited significant reductions upon γ-MCA treatment. Moreover, the decreased levels of serum alanine aminotransferases and aspartate aminotransferases demonstrated an improvement in the peroxidative injury of hepatocytes. By TUNEL assay, injurious amelioration protected the γ-MCA-treated mice against hepatic apoptosis. The abolishment of apoptosis prevented lobular inflammation, which downregulated the incidence of NASH by lowering NAS. Collectively, γ-MCA inhibits steatosis-induced peroxidative injury to ameliorate NASH by targeting FXR/SHP/LXRα/FASN signaling.
Improved Antigen Detection of Male-Only Dirofilaria immitis Infections in Canine Serum after Heat Treatment for Immune Complex Dissociation
Authors: Gruntmeir Jeff , Long Maureen , Blagburn Byron , Walden Heather
Published: March 2023

Since the mid-1990s, male-only heartworm infections have been considered undetectable using antigen tests based on experimental studies. Results from those studies are in contrast to reports in the decade prior showing variable male heartworm antigen detection using naturally infected animals and antigen tests using chemical and/or heat immune complex dissociating steps. Several recent studies utilizing heat treatment for immune complex dissociation (Heat ICD) demonstrated increased antigen sensitivity for necropsy verified male-only infections and a higher-than-expected frequency of this type of infection. This study utilized archived canine serum with verified male-only heartworm infections to evaluate detection of the heartworm antigen using the DiroCHEK® (Zoetis LLC, Parsippany, NJ, USA), Witness® (Zoetis LLC, Parsippany, NJ, USA), and SNAP® Heartworm RT (IDEXX Laboratories, Inc., Westbrook, ME, USA) antigen tests. Results showed significant increases in sensitivity for the heartworm antigen following heat treatment for DiroCHEK® (+42.1%, p < 0.0001) and Witness® (+26.3%, p = 0.0020), but not the SNAP® Heartworm RT (+10.5%, p = 0.1250). Prior to heat treatment, false negative results were obtained in 76.3–83.0% of mature infections. Infections with only immature male worms were never detected using any heartworm test used. Heat treatment of serum allows improved detection of mature male-only heartworm infections, which may occur more frequently than previously recognized, and like all heartworm infections pose a risk of chronic and cumulative pathology as well as thromboembolic disease regardless of infection intensity.
Template Entrance Channel as Possible Allosteric Inhibition and Resistance Site for Quinolines Tricyclic Derivatives in RNA Dependent RNA Polymerase of Bovine Viral Diarrhea Virus
Authors: Srivastava Mitul , Mittal Lovika , Sarmadhikari Debapriyo , Singh Vijay Kumar , Fais Antonella , Kumar Amit , Asthana Shailendra
Published: March 2023

The development of potent non-nucleoside inhibitors (NNIs) could be an alternate strategy to combating infectious bovine viral diarrhea virus (BVDV), other than the traditional vaccination. RNA-dependent RNA polymerase (RdRp) is an essential enzyme for viral replication; therefore, it is one of the primary targets for countermeasures against infectious diseases. The reported NNIs, belonging to the classes of quinolines (2h: imidazo[4,5-g]quinolines and 5m: pyrido[2,3-g] quinoxalines), displayed activity in cell-based and enzyme-based assays. Nevertheless, the RdRp binding site and microscopic mechanistic action are still elusive, and can be explored at a molecular level. Here, we employed a varied computational arsenal, including conventional and accelerated methods, to identify quinoline compounds’ most likely binding sites. Our study revealed A392 and I261 as the mutations that can render RdRp resistant against quinoline compounds. In particular, for ligand 2h, mutation of A392E is the most probable mutation. The loop L1 and linker of the fingertip is recognized as a pivotal structural determinant for the stability and escape of quinoline compounds. Overall, this work demonstrates that the quinoline inhibitors bind at the template entrance channel, which is governed by conformational dynamics of interactions with loops and linker residues, and reveals structural and mechanistic insights into inhibition phenomena, for the discovery of improved antivirals.
High Baseline Neutrophil-to-Lymphocyte Ratio Could Serve as a Biomarker for Tumor Necrosis Factor-Alpha Blockers and Their Discontinuation in Patients with Ankylosing Spondylitis
Authors: Moon Dong-Hyuk , Kim Aran , Song Byung-Wook , Kim Yun-Kyung , Kim Geun-Tae , Ahn Eun-Young , So Min-Wook , Lee Seung-Geun
Published: March 2023

Background: This study explores the association of neutrophil-to-lymphocyte (NLR), monocyte-to-lymphocyte (MLR), and platelet-to-lymphocyte (PLR) ratios with the 3-month treatment response and persistence of tumor necrosis factor-alpha (TNF-α) blockers in patients with ankylosing spondylitis (AS). Methods: This retrospective cohort study investigated 279 AS patients who were newly initiated on TNF-α blockers between April 2004 and October 2019 and 171 sex- and age-matched healthy controls. Response to TNF-α blockers was defined as a reduction in the Bath AS Disease Activity Index of ≥50% or 20 mm, and persistence referred to the time interval from the initiation to discontinuation of TNF-α blockers. Results: Patients with AS had significantly increased NLR, MLR, and PLR ratios as compared to controls. The frequency of non-response at 3 months was 3.7%, and TNF-α blockers’ discontinuation occurred in 113 (40.5%) patients during the follow-up period. A high baseline NLR but not high baseline MLR and PLR showed an independently significant association with a higher risk of non-response at 3 months (OR = 12.3, p = 0.025) and non-persistence with TNF-α blockers (HR = 1.66, p = 0.01). Conclusions: NLR may be a potential marker for predicting the clinical response and persistence of TNF-α blockers in AS patients.
Saponins of Selected Triterpenoids as Potential Therapeutic Agents: A Review
Authors: Bildziukevich Uladzimir , Wimmerová Martina , Wimmer Zdeněk
Published: March 2023

Saponins represent important natural derivatives of plant triterpenoids that are secondary plant metabolites. Saponins, also named glycoconjugates, are available both as natural and synthetic products. This review is focused on saponins of the oleanane, ursane, and lupane types of triterpenoids that include several plant triterpenoids displaying various important pharmacological effects. Additional convenient structural modifications of naturally-occurring plant products often result in enhancing the pharmacological effects of the parent natural structures. This is an important objective for all semisynthetic modifications of the reviewed plant products, and it is included in this review paper as well. The period covered by this review (2019–2022) is relatively short, mainly due to the existence of previously published review papers in recent years.
Hybrid Materials with Antimicrobial Properties Based on Hyperbranched Polyaminopropylalkoxysiloxanes Embedded with Ag Nanoparticles
Authors: Vasil’kov Alexander , Migulin Dmitry , Naumkin Alexander , Volkov Ilya , Butenko Ivan , Golub Alexandre , Sadykova Vera , Muzafarov Aziz
Published: March 2023

New hybrid materials based on Ag nanoparticles stabilized by a polyaminopropylalkoxysiloxane hyperbranched polymer matrix were prepared. The Ag nanoparticles were synthesized in 2-propanol by metal vapor synthesis (MVS) and incorporated into the polymer matrix using metal-containing organosol. MVS is based on the interaction of extremely reactive atomic metals formed by evaporation in high vacuum (10−4–10−5 Torr) with organic substances during their co-condensation on the cooled walls of a reaction vessel. Polyaminopropylsiloxanes with hyperbranched molecular architectures were obtained in the process of heterofunctional polycondensation of the corresponding AB2-type monosodiumoxoorganodialkoxysilanes derived from the commercially available aminopropyltrialkoxysilanes. The nanocomposites were characterized using transmission (TEM) and scanning (SEM) electron microscopy, X-ray photoelectron spectroscopy (XPS), powder X-ray diffraction (PXRD) and Fourier-transform infrared spectroscopy (FTIR). TEM images show that Ag nanoparticles stabilized in the polymer matrix have an average size of 5.3 nm. In the Ag-containing composite, the metal nanoparticles have a “core-shell” structure, in which the “core” and “shell” represent the M0 and Mδ+ states, respectively. Nanocomposites based on silver nanoparticles stabilized with amine-containing polyorganosiloxane polymers showed antimicrobial activity against Bacillus subtilis and Escherichia coli.
The ClC-2 Chloride Channel Activator, Lubiprostone, Improves Intestinal Barrier Function in Biopsies from Crohn’s Disease but Not Ulcerative Colitis Patients
Authors: Park Young Su , Kang Sang Bum , Marchelletta Ronald R. , Penrose Harrison M. , Ruiter-Visser Roos , Jung Barbara , Docherty Michael J. , Boland Brigid S. , Sandborn William J. , McCole Declan F.
Published: March 2023

The prostone analog, lubiprostone, is approved to manage constipation-predominant irritable bowel syndrome. Lubiprostone also protects intestinal mucosal barrier function in animal models of colitis. The aim of this study was to determine if lubiprostone improves barrier properties in isolated colonic biopsies from Crohn’s disease (CD) and ulcerative colitis (UC) patients. Sigmoid colon biopsies from healthy subjects, CD and UC patients in remission, and CD patients with active disease were mounted in Ussing chambers. Tissues were treated with lubiprostone or vehicle to determine the effects on transepithelial electrical resistance (TER), FITC-dextran 4kD (FD4) permeability, and electrogenic ion transport responses to forskolin and carbachol. Localization of the tight junction protein, occludin, was determined by immunofluorescence. Lubiprostone significantly increased ion transport across control, CD and UC remission biopsies but not active CD. Lubiprostone selectively improved TER in both CD remission and active disease biopsies but not in control or UC biopsies. The improved TER was associated with increased membrane localization of occludin. Lubiprostone selectively improved barrier properties of biopsies from CD patients vs. UC and independent of an ion transport response. These data indicate that lubiprostone has potential efficacy in improving mucosal integrity in Crohn’s disease.
Design and Implementation of a Low-Cost Air Quality Network for the Aburra Valley Surrounding Mountains
Authors: Yarce Botero Andrés , Lopez Restrepo Santiago , Sebastian Rodriguez Juan , Valle Diego , Galvez-Serna Julian , Montilla Elena , Botero Francisco , Henzing Bas , Segers Arjo , Heemink Arnold , Quintero Olga Lucia , Pinel Nicolás
Published: March 2023

The densest network for measuring air pollutant concentrations in Colombia is in Medellin, where most sensors are located in the heavily polluted lower parts of the valley. Measuring stations in the higher elevations on the mountains surrounding the valley are not available, which limits our understanding of the valley’s pollutant dynamics and hinders the effectiveness of data assimilation studies using chemical transport models such as LOTOS-EUROS. To address this gap in measurements, we have designed a new network of low-cost sensors to be installed at altitudes above 2000 m.a.s.l. The network consists of custom-built, solar-powered, and remotely connected sensors. Locations were strategically selected using the LOTOS-EUROS model driven by diverse meteorology-simulated fields to explore the effects of the valley wind representation on the transport of pollutants. The sensors transmit collected data to internet gateways for posterior analysis. Various tests to verify the critical characteristics of the equipment, such as long-range transmission modeling and experiments with an R score of 0.96 for the best propagation model, energy power system autonomy, and sensor calibration procedures, besides case exposure to dust and water experiments, to ensure IP certifications. An inter-calibration procedure was performed to characterize the sensors against reference sensors and describe the observation error to provide acceptable ranges for the data assimilation algorithm (<10% nominal). The design, installation, testing, and implementation of this air quality network, oriented towards data assimilation over the Aburrá Valley, constitute an initial experience for the simulation capabilities toward the system’s operative capabilities. Our solution approach adds value by removing the disadvantages of low-cost devices and offers a viable solution from a developing country’s perspective, employing hardware explicitly designed for the situation.
Influence of Optimal Hyperparameters on the Performance of Machine Learning Algorithms for Predicting Heart Disease
Authors: Ahamad Ghulab Nabi , Shafiullah  , Fatima Hira , Imdadullah  , Zakariya S. M. , Abbas Mohamed , Alqahtani Mohammed S. , Usman Mohammed
Published: March 2023

One of the most difficult challenges in medicine is predicting heart disease at an early stage. In this study, six machine learning (ML) algorithms, viz., logistic regression, K-nearest neighbor, support vector machine, decision tree, random forest classifier, and extreme gradient boosting, were used to analyze two heart disease datasets. One dataset was UCI Kaggle Cleveland and the other was the comprehensive UCI Kaggle Cleveland, Hungary, Switzerland, and Long Beach V. The performance results of the machine learning techniques were obtained. The support vector machine with tuned hyperparameters achieved the highest testing accuracy of 87.91% for dataset-I and the extreme gradient boosting classifier with tuned hyperparameters achieved the highest testing accuracy of 99.03% for the comprehensive dataset-II. The novelty of this work was the use of grid search cross-validation to enhance the performance in the form of training and testing. The ideal parameters for predicting heart disease were identified through experimental results. Comparative studies were also carried out with the existing studies focusing on the prediction of heart disease, where the approach used in this work significantly outperformed their results.
A Bābī Theology in Poetry: The Creative Imagination of Tāhirih, Qurratu’l-ʿAyn
Authors: Lee Anthony A.
Published: March 2023

Tāhirih, also known as Qurratu’l-‘Ayn (1814–1852), was one of the leading disciples of the Bāb (1819–1844), Sayyid ‘Alī-Muhammad of Shiraz, the founder of Babism. She was formally educated in Islamic learning and theology, but relied heavily on inspiration for some of her most radical doctrines. Her poems contain radical theological pronouncements that would propel the Bābī movement beyond Islam. By no means typical or representative of other Bābī scholars, her theology seems to be filled with a woman’s sensibility, with its inclination towards peace, justice, and reconciliation. At certain moments, Tāhirih anticipates developments in Bābī /Bahā’ī teachings that would not take place until decades later. Tāhirih’s poetic voice offers a unique Bābī theology understood, perhaps, only by her few (women?) followers at the time.
Self-Cultivation and Inwardness: How to Establish the Confucian Identity in Korean Neo-Confucianism
Authors: Lee Chan
Published: March 2023

The main goals of this essay are to describe and make clear the philosophical implications of self-cultivation concerning the concept of inwardness and examine how it contributes to the formation of the Confucian identity. In two representative Korean Neo-Confucian debates, the Debate on Supreme Polarity between Yi Ǒnjŏk and Cho Hanbo and one of the issues in the Horak Debate about the original substance of the tranquil state (mibal) of the mind, we can see that self-cultivation plays a crucial role in establishing the Confucian identity. For example, the debate between Yi and Cho shows how to teach people to achieve an ideal Confucian character by interpreting “learning human affairs below (hahag-insa)” and “reaching the heavenly principle above (sangdal-chŏlli)” differently. The concept of inwardness is significant as well as problematic in understanding the sense of rivalry against Buddhism earlier and the Yangming School later in the intellectual history of Korean neo-Confucianism. Those who think of themselves as true followers of Confucius and Zhu Xi criticize that a subjective way of experiencing inwardness is close to Buddhism and misleads one in the pursuit of some lofty metaphysical entity without any practical concerns. Despite such a criticism, some Neo-Confucian scholars have emphasized that the original substance of the mind is the tranquility of inwardness. In this vein, we will investigate what kind of philosophical identity most Korean Neo-Confucians have embraced as their own. Their consistent argument for keeping the balance between honoring the virtues and inquiring about learning leads to the claim that the achievement of self-cultivation should contribute to making the world peaceful. Thus, the matter of inwardness often described as deliberate solitude is not so much a subjective realm like religious confession, but vivid experiences of daily life that have never been separated from the manifestation of the Way (dao). In conclusion, the core issue of the Neo-Confucian identity having a sense of rivalry against heresy aims at the matter of practice, i.e., how actively and properly one participates in transforming the world.
(Re)Framing Resilience: A Trajectory-Based Study Involving Emerging Religious/Spiritual Leaders
Authors: Jankowski Peter J. , Sandage Steven J. , Wang David C.
Published: March 2023

The COVID-19 pandemic has provided a unique circumstance for the study of resilience, and clergy resilience has garnered increased research attention due to greater recognition that religious/spiritual leaders are at risk for elevated levels of anxiety and burnout. We examined longitudinal patterns of change during the pandemic in a sample of emerging leaders (N = 751; Mage = 32.82; SD 11.37; 49.9% female; 59.8% White). In doing so, we offered a conceptual and methodological approach based on historical and critical evaluations of the study of resilience. Results revealed a subgroup that exhibited resilience over three waves of data. The labeling of this trajectory was based on established criteria for determining resilience: (a) significant adversity in the form of COVID-19 stress at time 1, which included the highest levels of the subjective appraisal of stress; (b) risk in the form of low religiousness/spirituality and greater likelihood of reporting marginalized identifications, relative to those who were flourishing; (c) a protective influence for transformative experiences to promote positive adaptation; and (d) interruption to the trajectory in the form of improvement in levels of symptoms and well-being. Practical implications center on the potential for transformative experiences to clarify emotional experience and construct new meaning.
Evaluation of GAN-Based Model for Adversarial Training
Authors: Zhao Weimin , Mahmoud Qusay H. , Alwidian Sanaa
Published: March 2023

Deep learning has been successfully utilized in many applications, but it is vulnerable to adversarial samples. To address this vulnerability, a generative adversarial network (GAN) has been used to train a robust classifier. This paper presents a novel GAN model and its implementation to defend against L∞ and L2 constraint gradient-based adversarial attacks. The proposed model is inspired by some of the related work, but it includes multiple new designs such as a dual generator architecture, four new generator input formulations, and two unique implementations with L∞ and L2 norm constraint vector outputs. The new formulations and parameter settings of GAN are proposed and evaluated to address the limitations of adversarial training and defensive GAN training strategies, such as gradient masking and training complexity. Furthermore, the training epoch parameter has been evaluated to determine its effect on the overall training results. The experimental results indicate that the optimal formulation of GAN adversarial training must utilize more gradient information from the target classifier. The results also demonstrate that GANs can overcome gradient masking and produce effective perturbation to augment the data. The model can defend PGD L2 128/255 norm perturbation with over 60% accuracy and PGD L∞ 8/255 norm perturbation with around 45% accuracy. The results have also revealed that robustness can be transferred between the constraints of the proposed model. In addition, a robustness–accuracy tradeoff was discovered, along with overfitting and the generalization capabilities of the generator and classifier. These limitations and ideas for future work will be discussed.
Design and Implementation of a Low-Cost Chlorophyll Content Meter
Authors: Kamarianakis Zacharias , Panagiotakis Spyros
Published: March 2023

Chlorophyll meters are portable devices used to assess and improve plants’ nitrogen management and to help farmers in the determination of the health condition of plants through leaf greenness measurements. These optical electronic instruments can provide an assessment of chlorophyll content by measuring the light passing through a leaf or by measuring the light radiation reflected from its surface. However, independently of the main principle of operation and use (e.g., absorbance vs. reflectance measurements), commercial chlorophyll meters usually cost hundreds or even thousands of euros, making them inaccessible to growers and ordinary citizens who are interested in self-cultivation, farmers, crop researchers, and communities lacking resources in general. A low-cost chlorophyll meter based on light-to-voltage measurements of the remaining light after two LED light emissions through a leaf is designed, constructed, evaluated, and compared against two well-known commercial chlorophyll meters, the SPAD-502 and the atLeaf CHL Plus. Initial tests of the proposed device on lemon tree leaves and on young Brussels sprouts plant leaves revealed promising results compared to the commercial instruments. The coefficient of determination, R2, was estimated to be 0.9767 for the SPAD-502 and 0.9898 for the atLeaf-meter in lemon tree leaves samples compared to the proposed device, while for the Brussels sprouts plant, R2 was estimated to be 0.9506 and 0.9624, respectively. Further tests conducted as a preliminary evaluation of the proposed device are also presented.
Design of Hardware Accelerators for Optimized and Quantized Neural Networks to Detect Atrial Fibrillation in Patch ECG Device with RISC-V
Authors: Hoyer Ingo , Utz Alexander , Lüdecke André , Kappert Holger , Rohr Maurice , Antink Christoph Hoog , Seidl Karsten
Published: March 2023

Atrial Fibrillation (AF) is one of the most common heart arrhythmias. It is known to cause up to 15% of all strokes. In current times, modern detection systems for arrhythmias, such as single-use patch electrocardiogram (ECG) devices, have to be energy efficient, small, and affordable. In this work, specialized hardware accelerators were developed. First, an artificial neural network (NN) for the detection of AF was optimized. Special attention was paid to the minimum requirements for the inference on a RISC-V-based microcontroller. Hence, a 32-bit floating-point-based NN was analyzed. To reduce the silicon area needed, the NN was quantized to an 8-bit fixed-point datatype (Q7). Based on this datatype, specialized accelerators were developed. Those accelerators included single-instruction multiple-data (SIMD) hardware as well as accelerators for activation functions such as sigmoid and hyperbolic tangents. To accelerate activation functions that require the e-function as part of their computation (e.g., softmax), an e-function accelerator was implemented in the hardware. To compensate for the losses of quantization, the network was expanded and optimized for run-time and memory requirements. The resulting NN has a 7.5% lower run-time in clock cycles (cc) without the accelerators and 2.2 percentage points (pp) lower accuracy compared to a floating-point-based net, while requiring 65% less memory. With the specialized accelerators, the inference run-time was lowered by 87.2% while the F1-Score decreased by 6.1 pp. Implementing the Q7 accelerators instead of the floating-point unit (FPU), the silicon area needed for the microcontroller in 180 nm-technology is below 1 mm2.
SLRProp: A Back-Propagation Variant of Sparse Low Rank Method for DNNs Reduction
Authors: Garmendia-Orbegozo Asier , Nuñez-Gonzalez Jose David , Anton Miguel Angel
Published: March 2023

Application of deep neural networks (DNN) in edge computing has emerged as a consequence of the need of real time and distributed response of different devices in a large number of scenarios. To this end, shredding these original structures is urgent due to the high number of parameters needed to represent them. As a consequence, the most representative components of different layers are kept in order to maintain the network’s accuracy as close as possible to the entire network’s ones. To do so, two different approaches have been developed in this work. First, the Sparse Low Rank Method (SLR) has been applied to two different Fully Connected (FC) layers to watch their effect on the final response, and the method has been applied to the latest of these layers as a duplicate. On the contrary, SLRProp has been proposed as a variant case, where the relevances of the previous FC layer’s components were weighed as the sum of the products of each of these neurons’ absolute values and the relevances of the neurons from the last FC layer that are connected with the neurons from the previous FC layer. Thus, the relationship of relevances across layer was considered. Experiments have been carried out in well-known architectures to conclude whether the relevances throughout layers have less effect on the final response of the network than the independent relevances intra-layer.
Self-Supervised Wavelet-Based Attention Network for Semantic Segmentation of MRI Brain Tumor
Authors: Anusooya Govindarajan , Bharathiraja Selvaraj , Mahdal Miroslav , Sathyarajasekaran Kamsundher , Elangovan Muniyandy
Published: March 2023

To determine the appropriate treatment plan for patients, radiologists must reliably detect brain tumors. Despite the fact that manual segmentation involves a great deal of knowledge and ability, it may sometimes be inaccurate. By evaluating the size, location, structure, and grade of the tumor, automatic tumor segmentation in MRI images aids in a more thorough analysis of pathological conditions. Due to the intensity differences in MRI images, gliomas may spread out, have low contrast, and are therefore difficult to detect. As a result, segmenting brain tumors is a challenging process. In the past, several methods for segmenting brain tumors in MRI scans were created. However, because of their susceptibility to noise and distortions, the usefulness of these approaches is limited. Self-Supervised Wavele- based Attention Network (SSW-AN), a new attention module with adjustable self-supervised activation functions and dynamic weights, is what we suggest as a way to collect global context information. In particular, this network’s input and labels are made up of four parameters produced by the two-dimensional (2D) Wavelet transform, which makes the training process simpler by neatly segmenting the data into low-frequency and high-frequency channels. To be more precise, we make use of the channel attention and spatial attention modules of the self-supervised attention block (SSAB). As a result, this method may more easily zero in on crucial underlying channels and spatial patterns. The suggested SSW-AN has been shown to outperform the current state-of-the-art algorithms in medical image segmentation tasks, with more accuracy, more promising dependability, and less unnecessary redundancy.