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This study investigates the potential use of phosphomolybdic acid (POM) as an adsorbate for hazardous organic gases (CH3X, where X = F, Cl, and Br). Density functional theory (DFT) is employed to analyze the interaction between POM and the gases. Structural optimization using the TPSSh/Lanl2Dz level of theory is performed to determine the stable configurations. The adsorption energy of CH3X on POM is calculated to understand the adsorption capabilities and identify the most favorable complex. The results show that CH3F/POM has two optimal adsorption sites, while CH3Br/POM has a larger bond distance and stronger adsorption energy. CH3Cl/POM exhibits three bonding sites. The HOMO-LUMO energy difference decreases after binding, indicating improved conductivity. QTAIM, bond order, and NCI analysis reveal the inter- and intramolecular interactions and bond characteristics. Overall, POM is found to be suitable for adsorbing these gases, especially CH3Br. [ABSTRACT FROM AUTHOR]

This study explores the evolution of solidification microstructure of a laser powder bed fusion (L-PBF) martensitic stainless steel during solution annealing and aging. Quasi in-situ experiments using electron backscatter diffraction (EBSD) revealed that the finer, more equiaxed microstructure below the melt pool was susceptible to recrystallization and grain growth during solution annealing. The two distinct solidification microstructures below and inside the melt pool converged into a uniform grain morphology after solution annealing and aging processes. [ABSTRACT FROM AUTHOR]

This study investigates the application of Artificial Neural Networks (ANN) supplemented with optimization algorithms for modeling and mapping groundwater quality in an extensive unconfined aquifer in Northern Iran, a task traditionally performed through labor-intensive and costly water sampling and lab analysis. A comprehensive collection of groundwater samples from monitoring wells scattered across the region facilitated the calculation of the Groundwater Quality Index (GWQI) for each well. These GWQI readings were subsequently categorized into four distinct quality classes very poor, poor, good, and excellent. Key variables impacting groundwater quality were identified, including proximity to industrial and residential areas, population density, aquifer transmissivity, precipitation, evaporation, geology, and elevation. These factors were compiled and processed within a GIS environment. To establish a relationship between the GWQI and these determinants, an ANN model was employed. This was enhanced by the application of two optimization algorithms, Particle Swarm Optimization (PSO) and Grey Wolf Optimizer (GWO), to determine the optimal weight and structure of the ANN model. The study's results indicated that the ANN-PSO model (overall accuracy = 0.88) surpassed both the standard ANN (overall accuracy = 0.71) and ANN-GWO (overall accuracy = 0.83) models in accuracy. The region with the best and poorest groundwater quality was identified in the west and the northern section of the study area respectively. The feature analysis identified precipitation and population as the critical factors influencing groundwater quality in the region. [ABSTRACT FROM AUTHOR]

Background: In the present study, we examine the prevalence of phylogenetic groups, O-serogroups, adhesin genes, antimicrobial resistance, the level of gene expression associated with biofilm formation, and the presence of extended-spectrum beta-lactamase (ESBL) in UPEC strains isolated from both pediatric and adult patients. Methods: In this cross-sectional study, 156 UPEC isolates were collected from UTI patients. ESBL-producing isolates were detected using the double-disc synergy (DDS) method, and biofilm formation was assessed through a microplate assay. The presence of O-serogroups, adhesion factors and resistance genes, including ESBLs and PMQR genes, was detected by PCR, and isolates were categorized into phylogenetic groups using multiplex PCR. Additionally, the quantitative real-time PCR method was also used to determine the expression level of genes related to biofilm. Results: During the study period, 50.6% (79/156) of the samples were obtained from children, and 49.4% (77/156) were from adults. The highest rate of resistance was to NA (91.7%), while FM (10.9%) had the lowest rate of antibiotic resistance. In addition, 67.9% (106/156) of UPEC isolates were ESBL producers. Most of UPEC isolates belonged to phylogenetic group B2 (37.1%). This study revealed that blaCTX-M and qnrS are widely distributed among UPEC isolates. The mean expression levels of fimA genes were significantly higher in non-biofilm producers than in biofilm producers (p < 0.01). Conclusions: The high antibiotic resistance rates in this study highlight the significance of local resistance monitoring and investigating underlying mechanisms. Our findings indicate the dominance of phylogroup B2 and group D as the prevailing phylogenetic groups. Consequently, it is imperative to investigate the epidemiological aspects and characterize UPEC isolates across diverse regions and time frames. [ABSTRACT FROM AUTHOR]

This paper addresses a linear programming problem with interval right-hand sides, forming a family of linear programs associated with each realization of the interval data. The paper focuses on the outcome range problem, which seeks the range of an additional function—termed the outcome function—over all possible optimal solutions of such linear programs. We explore the problem's applicability in diverse contexts, discuss its connections to certain existing problems, and analyze its computational complexity and theoretical foundations. Given the inherent computational challenges, we propose three heuristics to solve the problem. The first heuristic employs a reformulation–linearization technique (RLT) to obtain an outer approximation of the range of the outcome function. We also present two algorithms—a gradient-restoration-based approach (GI) and a bases inspection method (BI)—for computing an inner approximation of the range. Computational experiments illustrate the competitive advantage of our proposed approaches versus off-the-shelf solvers. The GI and BI methods present promising results in finding a cheap but tight inner approximation, while the performance of the RLT technique decreases as problem size and uncertainty increase. [ABSTRACT FROM AUTHOR]

Metal additive manufacturing is a method of producing metallic parts layer-by-layer. Some drawbacks, including anisotropy in mechanical properties, detrimental residual stresses, and the presence of columnar grain structures can affect the quality and performance of additively manufactured metallic parts. Therefore, different industrial sectors have employed intuitive ancillary processes to improve the quality of additively manufactured parts. Of particular interest is in-situ ancillary processes that are more applicable than other procedures due to their utmost importance to reduce manufacturing cycle time. In this review article, after introducing various metal additive manufacturing technologies, some of the common alloys utilized in those processes were discussed. With an eye toward improving the quality of additively manufactured components, the focus of the review was then shifted toward the effects of building direction, processing parameters, and Alloying composition Modification on microstructure and mechanical properties. The efficacy of ancillary processes such as metalworking, in-situ heat treatment, and in-situ thermo hydrogen process in reducing defects and improving physical and mechanical properties was then presented. The interwoven effects of in-situ ancillary methods along with additive manufacturing process parameters on designing parts with optimum design for different alloys and systems. [ABSTRACT FROM AUTHOR]

Nickel–aluminum bronzes (NAB) are vital alloys, known for biofouling resistance, crucial for marine and shipbuilding industries. This study examined corrosion performance of NAB samples fabricated by wire arc additive manufacturing (WAAM) in as-built and heat-treated conditions. Microstructural analysis revealed the WAAM-NAB parts primarily consisted of the α-phase (copper) and three types of κ-phases: κII (spherical Fe3Al), κIII (Ni–Al in lamellar shape) within the interdendritic areas, and iron-rich κIV particles dispersed throughout the matrix. In contrast, casting-produced NAB showed the formation of a rosette-like κI phase as well. Corrosion behavior comparisons between the two NAB fabrication methods were also assessed. The microstructural characterizations revealed a rise in the size of the κIV particles after heat-treated at 350 °C for 2 h (HT1). Heat treatment at 550 °C for 4 h (HT2) resulted in a needle-like κV, coarsening of κII, partial spheroidization of κIII, and reduced κIV precipitation. When heat-treated to 675 °C for 6 h (HT3), κII and κV were coarsened, κIII was completely spheroidized, and κIV precipitation was significantly reduced. These microstructural features in HT2 and HT3 conditions steeply decreased their corrosion resistance compared to the WAAM as-built part. The as-built WAAM sample showed superior corrosion resistance in chloride solution, attributed to fewer κ-intermetallic phases and a finer microstructure. The κ-phases, irrespective of morphology, act as the cathodic areas versus the α-dendritic matrix, fostering microgalvanic cell formation. Consequently, precipitation of all cathodic κ-phases draws a higher galvanic current of the anodic α-phase, meaning a lower corrosion resistance. [ABSTRACT FROM AUTHOR]

Context: The present study aims to improve the performance of optoelectronics and photovoltaics by constructing an acceptor–donor-acceptor (A-D-A) molecule with a fullerene-free acceptor moiety. The study utilizes malononitrile and selenidazole derivatives to tailor the molecule for enhanced photovoltaic abilities. The study analyzes molecular properties and parameters like charge density, charge transport, UV absorption spectra, exciton binding energies, and electron density difference maps to determine the effectiveness of the tailored derivatives. Methods: To optimize the geometric structures, the study used four different functionals (B3LYP, CAM-B3LYP, MPW1PW91, and ɷB97XD) along with a double zeta valence basis set 6-31G(d, p) basis set. The study compared the results of the tailored derivatives with a reference molecule (R-P2F) to determine improvements in performance. The light harvesting efficiency of the molecules was analyzed by performing simulations in the gas and solvent phases (chloroform) based on the spectral overlap between the solar irradiance and the absorption spectra of the molecules. The open-circuit voltage (VOC) of each molecule was also analyzed, representing the maximum voltage that can be obtained from the cell under illuminated conditions. The findings indicated that the M1-P2F designed derivative is a more effective, with energy gap of 2.14 eV, and suitable candidate for non-fullerene organic solar cell application, based on various analyses such as power conversion efficiency, quantum chemical reactivity parameters, and electronic features. [ABSTRACT FROM AUTHOR]

Herein, a compound has been developed via melt blending and curing of poly(styrene–ethylene butylene–styrene) triblock copolymer (SEBS) with silicone rubber (SR). The cure characteristics, mechanical, thermal, and dynamic mechanical properties of the SR/SEBS blends of different mass ratios (100/0, 90/10, 75/25, 50/50, 25/75, and 0/100) are investigated. The cure characteristics reveal that the crosslinking and cure rate of SEBS are lower than SR. The cure rate of SEBS is 0.35 dN.m/min, while it is 15.35 dN.m/min for SR. Also, in the blends, as the content of SR increased, the crosslinking and cure rate of the blends show an upward trend. The results of mechanical properties indicate that the presence of SEBS with a formed (simultaneously physical and chemical) double network can strengthen the mechanical properties of SR, as the tensile strength and elongation at break of the blends improve by increasing the content of SEBS. It is found that adding 25% of SEBS to SR enhances the tensile strength and elongation at break of the SR blend from 5.66 to 7.56 MPa and from 116 to 185%, respectively. Thermogravimetry demonstrates the better thermal stability of SR than SEBS and the blends. The obtained primary thermal parameters reveal that the thermal stability of the SEBS phase in the blends improves with growing the SR content. Dynamic mechanical thermal analysis exhibits two loss tangent peaks for SEBS at 119.61 and − 45.36 °C, which are related to the glass transition temperatures of polystyrene (as a physical crosslinker phase) and ethylene–butylene blocks, respectively. Also, two peaks are observed for SR at − 37.16 and − 134.16 °C. Differential scanning calorimetry confirms that the two temperatures are related to the melting and glass transition temperatures of SR, respectively. [ABSTRACT FROM AUTHOR]

We propose a novel framework, Manticore , for multiparty computations, with full threshold and semi-honest security model, supporting a combination of real number arithmetic (arithmetic shares), Boolean arithmetic (Boolean shares) and garbled circuits (Yao shares). In contrast to prior work (Mohassel and Zhang, in 2017 IEEE symposium on security and privacy (SP), 2017; Mohassel and Rindal, in Proceedings of the 2018 ACM SIGSAC conference on computer and communications security, 2018), Manticore mitigates overflows, which is of paramount importance for machine learning applications, without compromising efficiency or security. Compared to other overflow-free recent techniques such as MP-SPDZ (Escudero et al., in 40th annual international cryptology conference, CRYPTO. Lecture notes in computer science, 2020) that convert arithmetic to Boolean shares, Manticore uses an efficient modular lifting/truncation method that allows for scalable high numerical precision computations with optimal numerical windows and hence, highly efficient online phases. We adapt basic MPC operations such as real-valued polynomial evaluation, division, logarithms, exponentials, Fourier series evaluations and oblivious comparisons to Manticore by employing our modular lift in combination with existing efficient conversions between arithmetic, Boolean and Yao shares. We also describe a highly scalable computations of logistic regression models with real-world training data sizes and high numerical precision through PCA and blockwise variants (for memory and runtime optimizations) based on second-order optimization techniques. On a dataset of 50 M samples and 50 features distributed among two players, the online phase completes in 14.5 h with at least 10 decimal digits of precision compared to plaintext training. The setup phase of Manticore is supported in both the trusted dealer and the interactive models allowing for tradeoffs between efficiency and stronger security. The highly efficient online phase makes the framework particularly suitable for MPC applications where the output of the setup phase is part of the input of the protocol (such as MPC-in-the-head or Prio). [ABSTRACT FROM AUTHOR]

A high concentration of trimethylamine (TMA) in the body can be converted to trimethylamine N-oxide (TMAO), which is a well-known proatherogenic substance capable of accelerating atherosclerosis disease in humans. Hence, there is a pressing need for the development of fast, accurate and reliable nanomaterials for the detection of TMA. In this study, the interaction of TMA with aluminium nitride nanotube (AlNNT) and gallium-doped aluminium nitride nanotube (AlNGaNT) was investigated using density functional theory at the M06-2X, B3LYP, ωB97XD at 6-311G(d)/6-31G(d) levels of theory. The results of the interaction energy between AlNGaNT and TMA for the 6-31G(d) increased remarkable in the order of M06-2X: −1.57 < B3LYP-D3:1.58 < ωB97XD: 1.89 kcal mol−1, while the 6-311G(d) showed higher interaction energy in the order of B3LYP-D3: −1.96 < M06-2X: −1.99 < ωB97XD: −2.03 kcal mol−1. Generally, the interaction of TMA with AlNNT and AlNGaNT increases the global reactivity parameter. From topological, a strong interaction was observed from −0.010 to −0.050 a.u. for signλ2(r)ρ(r) function and 0.000 to 0.00 to 0.400 for aRDG in TMA/AlNGaNT, where at signλ2(r)ρ(r) more scattered plot was observed between −0.050 to −0.020 a.u. While the small scattered plot was observed for TMA/AlNGaNT at 0.00 to −0.010 a.u. for signλ2(r)ρ(r) and aRDG of 0.00 to 0.400. Therefore, it was proposed that an electrostatic interaction is the mechanism between TMA and the AlNNC, and the strength of the interaction increase with the addition of Ga-atom as in AlNGaNT. [ABSTRACT FROM AUTHOR]

Applying density functional theory (DFT), an attempt has been made to investigate the intermolecular interactions between the serine amino acid and pristine boron nitride, Al-doped boron nitride, and carbon boron nitride nanotubes (BNNT, BNAlNT, and BC2NNT, respectively). One of the most suitable basis functionals for the systems studied in this research is 6-311G (d), which has been used in both optimization calculations and calculations related to wave function analyses. The main part of this work is the study of various analyses that reveal the nature of the intermolecular interactions between the two components introduced above. The results of conceptual DFT, natural bond orbital (NBO), non-covalent interactions (NCI), and quantum theory of atoms in molecules (QTAIM) were consistent and favored physical adsorption in all systems. Al-doped nanotube provides more adsorption energy than others. The HOMO–LUMO energy gaps were as follows: BNNT: 6.545, BNAlNT: 8.127, and BC2NNT: 7.027 eV at B3LYP-D3/6-311G (d) model chemistry. The adsorption sensitivity increased when an amino acid molecule interacted with doped BNNT and could be used to design a nanocarrier for serine amino acid. [ABSTRACT FROM AUTHOR]

Context: Density functional theory (DFT) method was employed to investigate the electronic structure properties, excited state dynamics, charge transfer, and photovoltaic potential of benzo [1,2,5] thiadiazole fused to 3,7-dimethyl-3a,6,7,7b-tetrahydro-5H-thieno[2′,3′:4,5]thieno[3,2-b]pyrrole to form 3,9,12,13-tetramethyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2″,3″:4,5]pyrrolo[3.2-g]thieno[2′,3′:4,5]thieno[3,2-b]indole as the acceptor (A), bridge with thiophene as π-spacer to the donor moieties (D) which are 2,3-dihydrobenzo [b]thiophene-6-carboxylic acid (M4) and functionalized R, M1, M2, M3, and M5 to give a D-π-A-π-D. Here is the reverse combination for our molecules: the A-π-D-π-A type of chromophore configuration. It is also observed that tuning the dono-bridge configuration significantly increases the ease of charge transfer as the energy gap decreases in the order of 1.29 eV in M4 < 1.59 eV in M3 < 1.67 eV < 1.99 in M2 and 2.06 eV. The reorganization energy (RE) of M3 (0.0031) and M5 (0.0031) indicates an increase in the order of M3 > M5 > R > M2 > M4 > M1. The HOMO-LUMO indicates that the reactivity decreased, while the stability increased for the reference R at 0.990 eV, compared to the designed molecules M1–M5, with M1 being the least stable at 0.970 eV, while M4 exhibited the highest stability at 1.550 eV. The stability of the designed molecule decreased in the order of M4:1.550 > M3:1.257 > M5:1.197 > M2:1.010 > M1:0.970. Therefore, all results point to the electron-deficient core as an effective end-capped electron acceptor in M1–M5 compounds. As the ideal pair for successfully optimizing optoelectronic properties by reducing the HOMO-LUMO energy levels, reorganization energy, and binding energy and enhancing the absorption maximum and open-circuit voltage values in these designed molecules. Methods: DFT and TDDFT calculations were performed with Gaussian 16 program. The modelled compounds were optimized fully using the CAM-B3LYP, WB97XD, B3LYP, and MPW1PW91 functionals with the 6-31 G (d,p) basis set. The graphs for the density of states were plotted using the PyMOlyze software. Other molecular properties like the transition density matrix (TDM) and electron density difference maps (EDD) were rendered via the Multiwfn software. [ABSTRACT FROM AUTHOR]

The ability of carbon- and silicon-based nanotubes, including pure carbon, silicon carbide, and Ge-doped silicon carbide nanotubes (CNT, SiCNT, SiCGeNT, respectively), for sensing highly toxic dichlorosilane (H2SiCl2) are investigated using quantum chemistry calculations. The intermolecular interactions between the sensing material and the gas molecule have been investigated with the density functional theory calculations with a functional that includes dispersion terms. The selected method employed is B3LYP-D3 (GD3BJ)/6-311G(d), while other functionals including PBE0, ωB97XD, and M06-2X have been used for comparison. The quantum theory of atoms in molecules (QTAIM) analysis is employed to check the type of intermolecular interactions. Natural bond orbital (NBO) calculations have been used to deduce the bond orders. The findings of this work indicate that the adsorption of the H2SiCl2 is a physisorption process, which is very desirable for its function as a sensing element. The Ge-doped nanotube offers maximum adsorption energy in comparison to CNT and SiCNT. [ABSTRACT FROM AUTHOR]

Summary: Background: Acute appendicitis (AA), the most common abdominal emergency disease, is one of the most important causes of hospitalization of children. Studies have shown that white blood cell (WBC) count, mean platelet volume (MPV), C‑reactive protein (CRP), and erythrocyte sedimentation rate (ESR) can play an important role in the diagnostic prediction of appendicitis. Therefore, the aim of this study was to evaluate the diagnostic value of WBC count, polymorphonuclear leukocytes (PMNs) percentage, MPV, CRP, and ESR for the diagnosis of AA. Methods: In this study, 100 medical records were reviewed for children referred to the hospital complaining of abdominal pain and who underwent operation with a provisional diagnosis of acute appendicitis based on clinical and laboratory findings. Patients were divided into two groups according to the pathology gold standard method: AA and the other group with acute abdominal pain without appendicitis (AAP). The diagnostic accuracy of WBC, PMNs%, MPV, ESR, and CRP were compared for patients with AA and AAP. Results: A total of 100 patients (50 with AA and 50 with AAP) were identified. The sensitivity and specificity of WBC and PMNs% were 78 and 66%, and 76 and 54%, respectively; ESR was 80 and 48%, respectively; and CRP was 82 and 62% (30–89%), respectively. A low specificity (8%) and 70% sensitivity was calculated using the cutoff point of 8.1 fl for MPV. Conclusion: Our data suggest that children with AA often present with significantly higher WBC count, ESR level, CRP level, PMNs%, and lower MPV level. The results of the study showed that WBC, CRP, and ESR, along with other diagnostic methods, can be useful in diagnosing AA in children. MPV is not effective in the diagnosis of AA due to its specificity; however, a significantly lower level was found in children with AA. [ABSTRACT FROM AUTHOR]

This research focused on the corrosion resistance and microstructure of hybrid additively manufactured (HAM) samples of AISI 420/CX (420/CX SS) stainless steels. Potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and Mott–Schottky analyses as well as the electrochemical noise (EN) technique were used to evaluate the electrochemical behavior of the as-built and heat-treated HAM parts in NaCl solution. The results showed a more protective passive layer formed on the CX SS side. The distribution of Cr-rich M23C6 carbides in matrix of 420 SS side resulted in a lower corrosion resistance compared to the CX SS side. The noise data analysis confirmed an increase in the galvanic currents of the HAM parts after heat treatment. The stochastic analysis revealed the interface in the heat-treated condition increases pit growth more than the as-built one due to the evolution of nano-sized intermetallic compounds of Al-N/ (Cr, Nb) (N, C) at the heat-treated interface area. [ABSTRACT FROM AUTHOR]

Background: Coronavirus disease 2019 (COVID-19) has different manifestations in pediatric cases. It is assumed that they might present more gastrointestinal symptoms with a different viral shedding pattern in gastrointestinal samples. In this systematic review and meta-analysis, we aimed to evaluate the viral shedding pattern in gastrointestinal specimens of children with COVID-19. Methods: We searched all published studies in English language in PubMed, Web of Science, and Scopus, up to date as of October 2021. Our search included the term "severe acute respiratory syndrome coronavirus 2, COVID-19, SARS-CoV-2, novel coronavirus, or coronavirus; and shed, excrete, secret, or carriage; and stool or rectal; and children or pediatrics". We included studies evaluating SARS-CoV-2 shedding in gastrointestinal specimens, including rectal swabs and stool samples of children with COVID-19 infection. We excluded duplicated data, case reports, and studies without original data. Results: Twelve studies met the eligibility criteria for the qualitative synthesis, 10 of which were included in the meta-analysis. The pooled prevalence of gastrointestinal severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA in children with COVID-19 was 86% (95% confidence interval 73%–96%, I2 = 62.28%). After respiratory specimen had become negative, 72% (43/60) had persistent shedding in gastrointestinal specimens. The gastrointestinal RNA had a positive test result for more than 70 days after symptoms onset. Conclusions: Gastrointestinal shedding of SARS-CoV-2 might occur in a substantial portion of children and might persist long after negative respiratory testing. Further research is recommended to find the role of SARS-CoV-2 gastrointestinal shedding in transmission in children. [ABSTRACT FROM AUTHOR]

In this study, a series of phase change nanocomposites using microencapsulated phase change material and graphene nanoplatelet (as an additive material) is synthesized to enhance PCM thermal properties. Paraffin as a PCM is encapsulated by melamine–formaldehyde as a shell material via in situ polymerization method. Graphene nanoplatelet as a heat transfer promoter is added among the microencapsulated phase change materials (MPCMs) in different mass fractions to form phase change nanocomposites. By the applied technique, the defect of leakage and the low thermal conductivity of the phase change material can be overcome simultaneously. The experimental measurements show that the thermal conductivity of the PCNs effectively enhances without a significant influence on their phase change enthalpy. The results indicate that when the amount of the graphene nanoplatelets increases, the thermal diffusivity and thermal conductivity enhance. By using 10 mass % graphene nanoplatelets in the PCN, the PCN's thermal diffusivity and thermal conductivity are raised by 93% and 48%, respectively. The DSC results show that the maximum latent heat of the PCNs is 95.97 J g−1 (PCN with 1 mass % of graphene). However, the maximum difference in the latent heat of PCNs with different graphene percentages is less than 4%. Thermal stability experiments show that the PCNs have a stable structure up to 165 °C without damaging the microcapsule shell. The fabricated PCNs, compared to many previous works, have good thermal properties and low cost which can properly be considered in thermal energy storage and thermal management applications. [ABSTRACT FROM AUTHOR]

The study of intermolecular interactions is of great importance. This study attempted to quantitatively examine the interactions between Serine (C3H7NO3) and fullerene nanocages, C60, in vacuum. As the frequent introduction of elements as impurities into the structure of nanomaterials can increase the intensity of intermolecular interactions, nanocages doped with silicon and germanium have also been studied as adsorbents, C59Si and C59Ge. Quantum mechanical studies of such systems are possible in the density functional theory (DFT) framework. For this purpose, various functionals, such as B3LYP-D3, ωB97XD, and M062X, have been used. One of the most suitable basis functionals for the systems studied in this research is 6-311G (d), which has been used in both optimization calculations and calculations related to wave function analyses. The main part of this work is the study of various analyses that reveal the nature of the intermolecular interactions between the two components introduced above. The results of conceptual DFT, natural bond orbital, non-covalent interactions, and quantum theory of atoms in molecules were consistent and in favor of physical adsorption in all systems. Germanium had more adsorption energy than other dopants. The HOMO–LUMO energy gaps were as follows: C60: 5.996, C59Si: 5.309 and C59Ge: 5.188 eV at B3LYP-D3/6–311 G (d) model chemistry. The sensitivity of the adsorption increased when an amino acid molecule interacted with doped C60, and this capability could be used to design nanocarrier to detect Serine amino acid. [ABSTRACT FROM AUTHOR]

Experimental measurements of thermophysical properties including densities (ρ) and dynamic viscosities (η) at temperature 298.15 K and pressure 87 kPa were performed for the binary mixtures benzene (1) + cyclohexane (2), benzene (1) + N,N-dimethylacetamide (2), and cyclohexane (1) + N,N-dimethylacetamide (2) as well as the ternary mixture of benzene (1) + cyclohexane (2) + N,N-dimethylacetamide (3). The experimental data have been utilized to extract the derived properties, such as excess molar volume (VE) and viscosity deviation (Δη). The data obtained from two-component mixtures were used to fit the parameters of the Redlich–Kister polynomial equation. Also, in addition to the binary mixtures data, the parameters of the Cibulka equation were fitted using the experimental data obtained from the ternary mixtures measurements. Consequently, the adjusted parameters, as well as the fitting standard deviations, were reported. Moreover, for further validation of the viscosity of the binary mixtures the McAllister three-body interaction model for kinematic viscosity (ν) and Grunberg–Nissan model for dynamic viscosity was examined. Derived properties were used to understand the nature of intermolecular interactions between components participating in these solutions. [ABSTRACT FROM AUTHOR]

Speech is a user-friendly signal for identity recognition with low computational complexity and implementation cost. However, the use of speech samples to identify persons involves several limitations, such as degraded performance in real environments due to the presence of different noises and channel effects. In recent years, deep neural network (DNN)-based approaches have provided good results in speaker verification and outperformed the i-vector based methods. The x-vector is a DNN-based speaker embedding that, in combination with probabilistic linear discriminant analysis (PLDA), increases both the accuracy and robustness of speaker verification systems. In this paper, we propose weighted x-vectors as a method for enhancing the speaker verification system in both clean and noisy environments. It exploits the statistical properties of target speaker enrollment x-vectors for weighting the test x-vector to enhance the scoring accuracy and thus the whole verification system. Experiments were conducted using the VoxCeleb dataset, MFCC feature vectors, and PLDA scoring method. The VoxCeleb is a large-scale dataset that contains real-world short-duration speech samples from over 6,000 speakers. Multicondition training for LDA and PLDA was also employed to improve the system's performance under mismatched noisy circumstances. The findings showed that using weighted x-vectors led to 18% and 10% reductions in equal error rate (EER) term for clean and noisy conditions, respectively. Also, the experiments show that the increase of the number of enrollment x-vectors results in superior performance of the proposed method. [ABSTRACT FROM AUTHOR]

In this work, the effect of heating rate on the phase transformation temperatures was investigated using dilatometry analysis. Continuous heating and isothermal holding above Ac3 temperature on microstructural evolutions in additively manufactured (AM) parts of Fe-Cr-Ni maraging stainless steel were studied. The microstructural features developed within the heating processes were characterized employing electron backscatter diffraction and transmission electron microscopy. Austenite reversion was found to take place in two steps for the AM parts by a diffusive mechanism as well as the precipitation reactions. Although grain refinement occurred during the austenite reversion of the continuously heated samples, the microstructure showed a coarser grain size after isothermal heating. The crystallographic orientations developed after the heating processes were different from those of the initial ones implying the absence of the austenite memory effect. [ABSTRACT FROM AUTHOR]

The study of intermolecular interactions is of great importance. This study attempted to quantitatively examine the interactions between acrolein (C3H4O) and fullerene nanocages, C60, in vacuum. As the frequent introduction of elements as impurities into the structure of nanomaterials can increase the intensity of intermolecular interactions, nanocages doped with silicon and germanium have also been studied as adsorbents, C59Si and C59Ge. Quantum mechanical studies of such systems are possible in the density functional theory (DFT) framework. The main part of this work is the study of various analyses that reveal the nature of the intermolecular interactions between the two components introduced above. The results of conceptual DFT, natural bond orbital, non-covalent interactions, and quantum theory of atoms in molecules were consistent and in favor of physical adsorption in all systems. Germanium had more adsorption energy than other dopants. The HOMO–LUMO energy gaps were as follows: C60: 5.996, C59Si: 5.309, and C59Ge: 5.188 eV at B3LYP-D3/6-311G (d) model chemistry. The sensitivity of the adsorption increased when a gas molecule interacted with doped C60, and this capability could be used to design nanosensors to detect acrolein gas. [ABSTRACT FROM AUTHOR]

The study of intermolecular interactions is of great importance. This study attempted to quantitatively examine the interactions between cysteine (C3H7NO2S) amino acid molecule with pristine boron nitride, Al-doped boron nitride and carbon boron nitride nanotubes (BNNT, BNAlNT, BC2NNT, respectively) in vacuum. Quantum mechanical studies of such systems are possible in the density functional theory (DFT) framework. For this purpose, various functionals, such as B3LYP-D3, ωB97XD and M062X, have been used. One of the most suitable basis functionals for the systems studied in this research is 6-311G(d), which has been used in both optimization calculations and calculations related to wavefunction analyses. The main part of this work is the study of various analyses that reveal the nature of the intermolecular interactions between the two components introduced above. The results of conceptual DFT, natural bond orbital, non-covalent interactions and quantum theory of atoms in molecules were consistent and in favour of physical adsorption in all systems. Al-doped nanotube provides more adsorption energy than others. The highest occupied molecular orbital and lowest unoccupied molecular orbital energy gaps were as follows: BNNT: 6.545, BNAlNT: 8.127 and BC2NNT: 7.027 eV at B3LYP-D3/6-311G(d) model chemistry. The sensitivity of the adsorption increased when an amino acid molecule interacted with doped BNNT, and could be used to design a nanocarrier for cysteine amino acid. [ABSTRACT FROM AUTHOR]

Breast cancer is one of the well-known non-cutaneous cancers among women worldwide. In the present study, we have characterized the anti-cancer activity of Moronecidin-like peptide derived from the Hippocampus comes in comparison with a well-known antimicrobial peptide (AMP), Piscidin. Evaluation of the cytotoxic activity of the peptides against 4T1 cancer cells and bone marrow-derived dendritic cells (BMDCs) using MTT assay and flow cytometry demonstrated a concentration-dependent cytotoxicity of Moronecidin-like and Piscidin peptides on the viability of 4T1 cells. Among AMPs, Piscidin indicated greater cytotoxicity than Moronecidin-like against 4T1 and BMDCs. Flow cytometry data demonstrated that AMPs induced (particularly Moronecidin-like) higher level of CCR7 and CD86 compared to Non-AMP. Furthermore, the findings demonstrated an inverse relationship between the cytotoxic activity of AMPs against BMDCs and the expression of activation markers (CCR7 and CD86) on BMDCs. Measuring of IFN-γ CD8 double-positive T-cells response demonstrated a higher frequency of IFN-γ CD8 double-positive T-cells in mice receiving Moronecidin-like compared to those receiving Piscidin. The tumor volumes and percent survival was determined in mice bearing 4T1 orthotopic breast cancer. A significant tumor growth inhibition was observed in mice receiving AMPs (particularly Moronecidin-like) compared to those receiving PBS. Furthermore, higher percent survival was observed in mice receiving Moronecidin-like compared to the other groups. The current study suggested synthetic Moronecidin-like as an efficacious dual-functional agent that possess direct (through inducing apoptosis) and indirect (priming anticancer immune response) anticancer activity against breast cancer in mice. [ABSTRACT FROM AUTHOR]

The study of intermolecular interactions is of great importance. This study attempted to quantitatively examine the interactions between cysteine (C3H7NO2S) and fullerene nanocages, C60, in vacuum. As the frequent introduction of elements as impurities into the structure of nanomaterials can increase the intensity of intermolecular interactions, nanocages doped with silicon and germanium have also been studied as adsorbents, C59Si and C59Ge. Quantum mechanical studies of such systems are possible in the density functional theory (DFT) framework. For this purpose, various functionals, such as B3LYP-D3, ωB97XD, and M062X, have been used. One of the most suitable basis functionals for the systems studied in this research is 6-311G (d), which has been used in both optimization calculations and calculations related to wave function analyses. The main part of this work is the study of various analyses that reveal the nature of the intermolecular interactions between the two components introduced above. The results of conceptual DFT, natural bond orbital, non-covalent interactions, and quantum theory of atoms in molecules were consistent and in favor of physical adsorption in all systems. Germanium had more adsorption energy than other dopants. The HOMO–LUMO energy gaps were as follows: C60: 5.996, C59Si: 5.309, and C59Ge: 5.188 eV at B3LYP-D3/6–311 G (d) model chemistry. The sensitivity of the adsorption increased when an amino acid molecule interacted with doped C60, and this capability could be used to design nanocarrier to carry cysteine amino acid. [ABSTRACT FROM AUTHOR]

The study was devoted to developing a novel synbiotic beverage based on with millet, rye and alfalfa sprouts with a mixed culture of Lactobacillus casei and Lactobacillus plantarum. In this regard, the influences of incorporated prebiotics inulin and oligofructose on probiotics viability during the refrigerated storage (4 ± 1 °C, 28 days) as well as under the simulated gastric condition were investigated. The characteristics such as microbial viability, physicochemical properties (viscosity, pH, titrable acidity and radical scavenging activity) and sensorial evaluation were assessed. The synbiotic beverage produced contained 108 CFU ml−1 for L. casei, with a good survival throughout the storage period (108 CFU ml−1) and L. plantarum at sufficient levels (106 CFU ml−1) after about 21 days. Inulin and oligofructose promoted the growth of the strains and their viability under cold storage while conferring higher sensory scores. In this context, the beverages demonstrated acceptable sensory attributes. The viability (bacterial survival) of over 55% for all the strains was achieved under simulated gastric condition. Therefore, the introduced fermented beverage was a good food matrix from the viability of probiotics as well as under the gastric condition and sensory characteristics [ABSTRACT FROM AUTHOR]

In this critical note, the thermal stability behavior of ultra-fine grained (UFG) and nano-structured (NS) metals and alloys produced through severe plastic deformation (SPD) techniques is reviewed. For this case, the common engineering metals with body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP) crystal structures such as aluminum, copper, nickel, magnesium, steel, titanium, and their relating alloys were assessed. Microstructural evolution in these severely deformed materials following post-processing annealing treatment was investigated for various times and temperatures below the recrystallization point. The microstructure development reported in the literature was studied in terms of the stable grain structures correlated with different levels of plastic straining. The stacking fault energy (SFE) is noted to be a key issue which has a critical influence in predicting the coalescence or coarsening behavior of ultra-fine and nanoscale grains after SPD treatment by controlling the cross-slip phenomenon for screw dislocations. [ABSTRACT FROM AUTHOR]

We have investigated the possibility of utilizing various single-walled pristine and doped carbon nanotubes as adsorbents for the 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) gaseous molecule. Three candidates, including pristine carbon nanotube (CNT), silicon carbide nanotube (SiCNT) and germanium-doped SiCNT (SiCGeNT) are identified and evaluated theoretically. The quantum simulations have been performed at the density functional theory (DFT) level with four different functionals (i.e., M06-2X, ωB97XD, CAM-B3LYP and B3LYP-D3) with a split-valence triple-zeta basis set (6-311G(d)). We found that adsorption on the SiCGeNT is most favourable, while that on the pristine CNT yields the lowest adsorption energy. Adsorption on these nanotubes is not accompanied by an active charge-transfer phenomenon; instead, it is driven by weak van der Waals forces. The HOMO–LUMO energy gaps drastically change when the dopant atom is added to the SiCNT, thereby improving their overall adsorption capability. Among all of the adsorbents investigated here, SiCGeNT shows the most favourable for designing effective HCFC-124 nanosensors. [ABSTRACT FROM AUTHOR]

Anti-Leishmanial drug therapy faces significant challenges related to cytotoxicity and drug resistance. Thus, new and efficient anti-Leishmanial drugs need to be identified. Due to their broad-spectrum antimicrobial and also immunomodulatory activities, antimicrobial peptides (AMPs) have attracted considerable attention. In this study, we comparatively assessed the anti-Leishmanial activities of two recently identified AMPs (dicentracin-like and moronecidine-like) and the well-known AMP piscidin from the hybrid striped bass. AMPs were first assessed against Leishmania major promastigotes using MTS. Subsequently, macrophages were infected with L. major and treated with AMPs to evaluate anti-amastigotes activity of AMPs, and non-infected macrophages were treated with AMPs to determine cytotoxicity against mammalian cells using MTS. The induction of factors limiting L. major growth (IL-12, TNF-α and reactive oxygen species (ROS)) by AMPs was measured by ELISA and dichlorofluorescin-diacetate (DCFH-DA) assay, respectively. Piscidin was more efficacious against L. major promastigotes as compared to dicentracine-like or moronocidin-like peptides, whereas, dicentracine-like and moronocidin-like peptide exhibited a higher activity against L. major amastigotes compared to piscidin. In turn, piscidin was most cytotoxic in non-infected macrophages compared to the other two AMPs. A direct association was observed between hydrophobicity of AMPs and their anti-promastigote and cytotoxic activities. Dicentracine-like or moronocidin-like peptides induced higher levels of IL-12, TNF-α and ROS in macrophages compared to piscidin. Collectively, our results suggest that dicentracine-like and moronocidin-like peptides represent potentially promising multi-functional therapeutic agents that might not only directly kill L. major but also induce anti-Leishmania factors that can limit L. major growth and intracellular survival. [ABSTRACT FROM AUTHOR]

The resistance of hospital bacterial isolates against traditional germicides, which used frequently, is one of the important factors contributing to emerging nosocomial infections. Moreover, due to having the side effects of chemical substances, the development of novel low-risk natural compounds seems necessary for control the spread of resistant pathogens in hospital environments. The aim of this study was to compare the effect of carvacrol and glutaraldehyde against two common hospital acquired pathogens, including Pseudomonas aeruginosa and Staphylococcus aureus. In this study 365 samples were collected from different wards of hospitals of Khorramabad, Iran. One hundred and sixty samples were identified as P. aeruginosa and S. aureus by using standard microbiological methods. Then the antibacterial effects of four combinations including carvacrol+ethanol, carvacrol+dimethyl sulfoxide (DMSO), glutaraldehyde 2%, and pure glutaraldehyde (50%) were evaluated and determined using dilution broth and disk diffusion methods. Our results showed that the carvacrol had more antibacterial effects against selected bacteria compared to glutaraldehyde. Moreover, the optimal time and concentration of carvacrol+ethanol against hospital isolates of P. aeruginosa and S. aureus was determined after 1 h at concentration of 64 μl/ml and 8 μl/ml, respectively. In conclusion by comparing the results of carvacrol and glutaraldehyde, seem that carvacrol, as an herbal and natural agent, may be a suitable alternative to glutaraldehyde in hospital equipment's' sterilization. [ABSTRACT FROM AUTHOR]

In the present investigation, the feasibility of detecting the bromochlorodifluoromethane (BCF) gas molecule onto the outer surface of pristine single-wall silicon carbide nanotube (SiCNT), as well as its germanium-doped structures (SiCGeNT), was carefully evaluated. For achieving this goal, a density functional theory level of study using the Perdew, Burke, and Ernzerhof exchange-correlation (PBEPBE) functional together with a 6-311G(d) basis set has been used. Subsequently, the B3LYP, CAM-B3LYP, ωB97XD, and M06-2X functionals with a 6-311G(d) basis set were also employed to consider the single-point energies. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) were implemented by using the PBEPBE/6-311G(d) method, and the results were compatible with the electronic properties. In this regard, the total density of states (TDOSs), the Wiberg bond index (WBI), natural charge, natural electron configuration, donor-acceptor natural bond orbital interactions, and the second-order perturbation energies are performed to explore the nature of the intermolecular interactions. All of the energy calculations and population analyses denote that by adsorping of the gas molecule onto the surface of the considered nanostructures, the intermolecular interactions are of the type of strong physical adsorption. The doped nanotubes have a very high adsorption energy compared with pristine nanotube. Generally, it was revealed that the sensitivity of the adsorption will be increased when the gas molecule interacts with decorated nanotubes and decrease the HOMO-LUMO band gap; therefore, the change of electronic properties can be used to design suitable nanosensors to detect BCF gas. [ABSTRACT FROM AUTHOR]

Due to high local cooling rates and non-equilibrium directional solidification conditions, selective laser melting (SLM) processed metals exhibit microstructural and textural features significantly different from the conventionally processed ones. The evolution of crystallographic orientations in a maraging stainless steel (commercially known as stainless steel CX) sample fabricated by the SLM process was studied through experimental and modelling approaches Electron backscattering diffraction analysis showed that the dominant texture components in martensite and austenite phases are <111>|| building direction and <011>|| building direction, respectively. Texture simulation indicated that the formation of crystallographic orientations in the studied sample is the result of two consecutive phase transformations, from initially solidified delta ferrite phase with dominant cube fiber texture to austenite and austenite to martensite. [ABSTRACT FROM AUTHOR]

Chimeric virus-like particles (VLPs) were developed as a candidate for allergen-specific immunotherapy. In this study, hepatitis B core antigen (HBcAg) that genetically fused to Chenopodium album polcalcin (Che a 3)–derived peptide was expressed in E. coli BL21, purified, and VLP formation was evaluated using native agarose gel electrophoresis (NAGE) and transmission electron microscopy (TEM). Chimeric HBc VLPs were characterized in terms of their reactivity to IgE, the induction of blocking IgG and allergen-specific IgE, basophil-activating capacity, and Th1-type immune responses. Results from IgE reactivity and basophil activation test showed that chimeric HBc VLPs lack IgE-binding capacity and basophil degranulation activity. Although chimeric HBc VLPs induced the highest level of efficient polcalcin-specific IgG antibody in comparison to those induced by recombinant Che a 3 (rChe a 3) mixed either with HBc VLPs or alum, they triggered the lowest level of polcalcin-specific IgE in mice following immunization. Furthermore, in comparison to the other antigens, chimeric HBc VLPs produced a polcalcin-specific Th1 cell response. Taken together, genetically fusion of allergen derivatives to HBc VLPs, in comparison to a mix of them, may be a more effective way to induce appropriate immune responses in allergen-specific immunotherapy. Key points: • The insertion of allergen-derived peptide into major insertion region (MIR) of hepatitis B virus core (HBc) antigen resulted in nanoparticles displaying allergen-derived peptide upon its expression in prokaryotic host. • The resultant VLPs (chimeric HBc VLPs) did not exhibit IgE reactivity with allergic patients' sera and were not able to degranulate basophils. • Chimeric HBc VLPs dramatically improved protective IgG antibody response compared with those induced by allergen mixed either with HBc VLPs or alum. • Chimeric HBc VLPs induced Th1 responses that were counterparts of Th2 responses (allergic). • Chimeric HBc VLPs increased IgG2a/ IgG1 ratio and the level of IFN-γ compared to those induced by allergen mixed with either HBc VLPs or alum. [ABSTRACT FROM AUTHOR]

In the present investigation, the feasibility of detecting the chlorofluoromethane (CFM) gas molecule onto the outer surface of pristine single layer boron nitride nanosheet (BNNS), as well as its aluminum (Al)– and gallium (Ga)–doped structures, was carefully evaluated. For achieving this goal, a density functional theory level of study using the Perdew, Burke, and Ernzerhof exchange–correlation (PBEPBE) functional together with a 6-311G(d) basis set has been used. Subsequently, the B3LYP, CAM-B3LYP, wB97XD, and M062X functionals with a 6-311G(d) basis set were also employed to consider the single-point energies. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) were implemented by using the B3LYP-D3/6-311G(d) method, and the results were compatible with the electronic properties. In this regard, the total density of states (TDOSs), the Wiberg bond index (WBI), natural charge, natural electron configuration, donor–acceptor natural bond orbital interactions, and the second-order perturbation energies are performed to explore the nature of the intermolecular interactions. All of the energy calculations and population analyses denote that by adsorbing of the gas molecule onto the surface of the considered nanostructures, the intermolecular interactions are of the type of strong chemical adsorption. Among the doped nanosheets, Ga-doped nanosheet has very high adsorption energy compared with other elements (i.e., Ga-doped > Al-doped > pristine). Generally, it was revealed that the sensitivity of the adsorption will be increased when the gas molecule interacts with decorated nanosheets and decrease the HOMO-LUMO band gap; therefore, the change of electronic properties can be used to design suitable nanosensors to detect CFM gas. [ABSTRACT FROM AUTHOR]

A framework for adopting machine learning is presented for both analysis and design of microlattices, which can be fabricated using additive manufacturing techniques. Building on graph autoencoders in the deep learning realm, a learning algorithm is designed within an encoder and a decoder (autoencoder), which are responsible for analysis and design of microlattice architectures, respectively. Microlattices are generated by a compact genetic algorithm, and their corresponding mechanical properties are obtained by finite-element analysis. The training dataset consists of 2500 microlattices. The autoencoder is trained in a supervised manner with the graph representation of the generated microlattices. The encoder component learns to infer the mechanical properties of a microlattice as latent variables in the form of force–displacement characteristics, whereas the decoder component is presented with desired mechanical properties as inputs and creates a corresponding microlattice. The decoder is able to generate microlattices from the desired mechanical properties. The decoder-generated microlattices are in good agreement with the original ones within and/or without the training dataset. The ability of the encoder to capture more complex mapping, from microlattice architectures to performance metrics, can be improved by adding more graph convolutional layers to the encoder, i.e., producing deeper networks. [ABSTRACT FROM AUTHOR]

In this study, inverse emulsion polymerization (IEP) of acrylamide (AAm) and 2-acrylamido-2-methyl-1-propane sulfonic acid (AMPS) was conducted with a constant monomer AAm/AMPS feed ratio of 80%:20%. The effects of important reaction parameters on monomer conversion, intrinsic viscosity and molecular weight of nanostructured polymers (NSPs) were comprehensively assessed and the optimal synthesis conditions (in terms of the high molecular weight characteristics) was obtained using Box–Behnken design (BBD) combined with response surface methodology (RSM). The glass transition temperature (Tg) of the synthesized NSP was obtained at 165 °C by differential scanning calorimetry (DSC). The rheology measurements demonstrated the long–term stability of the synthetized NSPs after 50 days of aging at 90 °C within the 87,000 ppm brine. Regarding the high molecular weight and acceptable long–term stability at elevated temperatures and salinity levels, the synthesized NSP could be considered as potential candidates for enhanced oil recovery (EOR) applications under harsh condition reservoirs. [ABSTRACT FROM AUTHOR]

One of the basic tools to describe uncertainty in a linear programming model is interval linear programming, where parameters are assumed to vary within a priori known intervals. One of the main topics addressed in this context is determining the optimal value range, that is, the best and the worst of all the optimal values of the objective function among all the realizations of the uncertain parameters. For the equality constraint problems, computing the best optimal value is an easy task, but the worst optimal value calculation is known to be NP-hard. In this study, we propose new methods to determine bounds for the worst optimal value, and we evaluate them on a set of randomly generated instances. [ABSTRACT FROM AUTHOR]

Writing identification based on handwriting has many applications in the real world. Due to various forms of written letters in different languages, one of the major challenges in this context is offering an efficient method not being dependent on any specific language. In this paper, we have proposed a new approach based on image mining techniques for offline and text independent writer identification. In this method, each writers' prominent features are found from training samples, and then identification is done according to them. In the image mining part of the proposed approach, certain techniques including SVM classifier and genetic algorithms are employed. To evaluate this method and show its performance in different languages, CASIA for Chinese, IAM dataset for English and two datasets for Kannada and Persian language handwriting were examined. The experiment results demonstrate that the presented method has over 99% accuracy for these languages. Regarding the results in tested languages and the method details, it is highly likely that our method would have good results in other languages also. [ABSTRACT FROM AUTHOR]

Purpose: Cystic echinococcosis (CE), caused by the metacestode of Echinococcus granulosus, is highly endemic over large parts of Iran. The purpose of this study was to investigate the prevalence rate of hydatidosis and mitochondrial cox1 real-time PCR with high-resolution melting curve (HRM) analysis of E. granulosus isolated from human and livestock. Methods: In this cross-sectional study, 61 formalin-fixed paraffin-embedded tissue isolates were collected from human CE cases and 83 hydatid cysts from the liver and lung lesions of the livestock in Khorasan Razavi province, Northeast Iran. DNA was extracted from each isolate and amplified by real-time PCR and analyzed using the HRM method. Results: The HRM analysis using the cox1 gene of 40 E. granulosus human isolates showed that 35 (87.5%), 4 (10%), and 1 (2.5%) of the isolates were categorized as G1, G3, and G6 genotypes, respectively. Out of the total 1342 livestock inspected, 39 (4%) goats and 44(12%) cattle were found harboring hydatid cysts all belonging to E. granulosus sensu stricto. Conclusion: The results confirmed that the high prevalence of E. granulosus sensu stricto in intermediate hosts is remarkable in northeast of Iran coupled with the high prevalence of infection in livestock, which reinforced the need for hydatidosis control programs in this region. [ABSTRACT FROM AUTHOR]

In this study, the effect of initial water saturation on the oil recovery for carbonate rocks is investigated using spontaneous imbibition experiments. The experiments are performed using 20 times diluted sea water as imbibing fluid and the sea water as initial water. In addition, the impact of pH and Ca2+, Mg2+, Na+, and K+ cations concentration change of imbibing fluid are investigated during tests. These results help to identify the active cations in the wettability alteration process of carbonate rocks during the low-salinity water injection. A mechanism is proposed to describe the effect of initial water saturation on the oil recovery by low-salinity water injection. The impact of initial water saturation on the wettability alteration might be positive or negative depending on its value and the rock permeability. The comparison of divalent cations concentrations shows that the minimum adsorption of Ca2+ and maximum desorption of Mg2+ lead to maximum oil recovery of spontaneous imbibition. The results confirm that three cations of Ca2+, Mg2+, and Na+ are active for wettability alteration of carbonate rocks in the presence of sea water as initial water and diluted sea as imbibing fluid, whilst the amounts of potassium remain constant. [ABSTRACT FROM AUTHOR]

Two hundred one hexaploid wheat accessions, representing 200 years of selection and breeding history, were sampled from the National Small Grains Collection in Aberdeen, ID, and evaluated for five root traits at the seedling stage. A paper roll-supported hydroponic system was used for seedling growth. Replicated roots samples were analyzed by WinRHIZO. We observed accessions with nearly no branching and accessions with up to 132 cm of branching. Total seminal root length ranged from 70 to 248 cm, a 3.5-fold difference. Next-generation sequencing was used to produce single-nucleotide polymorphism (SNP) markers and genomic libraries that were aligned to the wheat reference genome IWGSCv1 and were called single-nucleotide polymorphism (SNP) markers. After filtering and imputation, a total of 20,881 polymorphic sites were used to perform association mapping in TASSEL. Gene annotations were conducted for identified marker-trait associations (MTAs) with − log10P > 3.5 (p value < 0.003). In total, we identified 63 MTAs with seven for seminal axis root length (SAR), 24 for branching (BR), four for total seminal root length (TSR), eight for root dry matter (RDM), and 20 for root diameter (RD). Putative proteins of interest that we identified include chalcone synthase, aquaporin, and chymotrypsin inhibitor for SAR, MYB transcription factor and peroxidase for BR, zinc fingers and amino acid transporters for RDM, and cinnamoyl-CoA reductase for RD. We evaluated the effects of height-reducing Rht alleles and the 1B/1R translocation event on root traits and found presence of the Rht-B1b allele decreased RDM, while presence of the Rht-D1b allele increased TSR and decreased RD. [ABSTRACT FROM AUTHOR]

Antimicrobial peptides (AMPs) have attracted attentions as a novel antimicrobial agent because of their unique activity against microbes. In the present study, we described a new, previously unreported AMP, moronecidin-like peptide, from Hippocampus comes and compared its antimicrobial activity with moronecidin from hybrid striped bass. Antibacterial assay indicated that gram-positive bacteria were more sensitive to moronecidin and moronecidin-like compared with gram-negative bacteria. Furthermore, both AMPs were found to exhibit effective antifungal activity. Comparative analysis of the antimicrobial activity revealed that moronecidin-like peptide has higher activity against Acinetobacter baumannii and Staphylococcus epidermidis relative to moronecidin. Both moronecidin-like and moronecidin peptides retained their antibacterial activity in physiological pH and salt concentration. The time-killing assay showed that the AMPs completely killed A. baumannii and S. epidermidis isolates after 1 and 5 h at five- and tenfold above their corresponding MICs, respectively. Anti-biofilm assay demonstrated that peptides were able to inhibit 50% of biofilm formation at sub-MIC of 1/8 MIC. Furthermore, moronecidin-like significantly inhibited biofilm formation more than moronecidin at 1/16 MIC. Collectively, our results revealed that antimicrobial and anti-biofilm activities of moronecidin-like are comparable to moronecidin. In addition, the hemolytic and cytotoxic activities of moronecidin-like were lower than those of moronecidin, suggesting it as a potential novel therapeutic agent, and a template to design new therapeutic AMPs. [ABSTRACT FROM AUTHOR]

In this paper, the stochastic vibration characteristics of a functionally graded material micro-switch with random material properties near the pull-in instability are investigated. The uncertainties of the material properties and randomness of the composition of constituents due to the fabrication process are considered in this study. The micro-switch is modeled as a micro-beam and is under the effects of electrostatic and Casimir forces. The properties of the constituent materials are temperature dependent, and the system undergoes a change in temperature. The governing equations of motion of the Euler-Bernoulli micro-beam are derived based on modified couple stress theory and are solved using the state space form finite difference method. The statistics of the dynamic characteristics are obtained based on Monte Carlo simulation method. The effects of Casimir force, the length scale parameter, temperature dependencies of the material properties, the temperature change, the applied voltage and the volume fraction index on stochastic properties of the first natural frequency, the second natural frequency, the pull-in gap, and the pull-in voltage are studied in detail. [ABSTRACT FROM AUTHOR]

Electricity load forecasting plays an important role for optimal power system operation. Accordingly, short term load forecast (STLF) is also becoming an important task by researchers to tackle the mentioned problem. As a consequence of the highly non-smooth and volatile trend of the load time series specially in building levels, its STLF is even a more complex procedure than that of a power system. For this purpose, in this paper we proposed a new prediction model based on a new feature selection algorithm and hybrid forecast engine of enhanced version of empirical mode decomposition named sliding window EMD bundled with an intelligent algorithm. The proposed forecast engine is combined with novel shark smell optimization to increase the prediction accuracy. All weights of this forecast engine have been optimized with an intelligent algorithm to find better prediction results. Effectiveness of the proposed model is carried out to real-world engineering test case in comparison with other prediction models. [ABSTRACT FROM AUTHOR]

Colorectal cancer (CRC) is one of the main causes of death in the world. Diagnosis in precancerous lesions stage is an important factor in reducing the mortality rate in CRC. Our study aimed at determining methylation status of secreted frizzled-related protein2 (SFRP2) gene in stool and serum samples of patients compared to healthy individuals. We collected serum and stool samples from 50 individuals including 25 patients with colorectal cancer and 25 healthy individuals. DNA was isolated from the serum and stool and treated by sodium bisulfite. It was then analyzed by methylation-specific polymerase chain reaction (MSP). Results showed that methylated SFRP2 occurs with significant different in patients with colorectal cancer compared to healthy individuals. Our result indicated that methylated SFRP2 occurs in 68% (17/25) and 48% (12/25) of stool DNA and cell-free DNA of patients with colorectal cancer, respectively. Methylated SFRP2 was detected in 8% (2/25) and 4% (1/25) of stool DNA and cfDNA of healthy individuals. Our result indicated that methylated SFRP2 occurred more frequently in stool DNA than cell-free DNA sample of patients with colorectal cancer. Methylated SFRP2 can be used as a potential noninvasive biomarker for screening high-risk individuals. In order to determine high sensitivity and specificity of this marker, more samples of Iranian individuals should be studied. [ABSTRACT FROM AUTHOR]

A sequential one-pot four-component reaction for the efficient synthesis of novel 16-(aryl)benzo[ a]indeno[2′,1′:5,6]pyrano[2,3- c]phenazin-15(16 H)-one derivatives has been developed. The synthesis was achieved by reacting 2-hydroxynaphthalene-1,4-dione, benzene-1,2-diamine, aromatic aldehydes, and 1,3-indandione in the presence of oxalic acid as a reusable and homogenous organocatalyst in EtOH/HO (1:1) under reflux. The present approach of this methodology offers several advantages such as high yields, clean reaction profiles, operational simplicity, simple work-up procedures, and green aspects by avoiding toxic catalysts and solvents. [ABSTRACT FROM AUTHOR]

Current evidences indicated that a group of soluble mediators called chemokines is involved in tumor growth and metastasis. The association of IL-8 with tumor cell migration was previously found, and its expression was related to angiogenesis, tumor progression, and metastasis in many kinds of carcinomas in human and animal models. Furthermore, it has been showed that IL-17 plays its role as either a proteome of tumor progression or antitumor indifferent cancer models. To investigate the messenger RNA (mRNA) expressions of IL-8 and IL-17 in patients with colorectal cancer (CRC) and non-tumor tissue, quantitative real-time PCR was used in the study. Our results showed that expression of IL-8 mRNA was significantly increased in tumor tissues (mean ± SD 3.84 ± 0.08) compared with adjacent normal mucosa (mean ± SD 1.17 ± 0.75, P = 0.001). Furthermore, a higher expression of IL-17 mRNA was found in tumor tissues (mean ± SD 2.73 ± 0.69) when compared with normal tissues (mean ± SD 1.06 ± 0.07, P = 0.001). Our findings indicated that advanced tumor-node-metastasis (TNM) stage ( P = 0.024) and histological grade (poorly differentiated, P = 0.013) and distant metastasis ( P = 0.001) were correlated with expression of IL-8. Moreover, high expression of IL-17 showed significant association with early stage CRC (TNM) ( P = 0.038). In conclusion, the expression of IL-8 and IL-17 mRNAs was significantly increased in tumor tissues compared with adjacent normal tissues. We found that advanced TNM stage and histological grade and distant metastasis were correlated with expression of IL-8, while high expression of IL-17 showed significant association with early stage CRC (TNM) stage and overexpression of IL-8 may be associated with progression of CRC. [ABSTRACT FROM AUTHOR]