Biogenic synthesis of levofloxacin-loaded copper oxide nanoparticles using Cymbopogon citratus: A green approach for effective antibacterial applications.

Despite the success of antibiotics in medicine, the treatment of bacterial infection is still challenging due to emerging resistance and suitable drug delivery system, therefore, innovative approaches focused on nanoparticles based antimicrobial drug delivery systems are highly desired. This research aimed to synthesize Cymbopogon citratus (C. citratus) aqueous extract-mediated copper oxide (CuO-Nps) conjugated with levofloxacin (LFX). The synthesized CuO NPs-LFX nano conjugate was confirmed by analysis using scanning electron microscopy (SEM), thermal gravimetric analysis (TGA), and infrared and ultraviolet/visible spectroscopy. Antibacterial activities were assessed in vitro through the agar well diffusion method against six bacterial strains of clinical relevance. CuO NPs confirmed by UV-Vis analysis absorption peak observed at 380 nm. TGA analysis showed 8.98% weight loss between the 400-800 °C temperature range. The functional group's presence was confirmed by FTIR analysis. Spherical shape nanoparticles with an average particle size of 55 nm were recorded by FESEM. Results from agar well diffusion assay showed that CuO NPs-LFX prohibited the development of both gram-positive and gram-negative bacteria at all established concentrations, and the antibacterial propensity was more pronounced as compared to bare CuO NPs, Levofloxacin and C. citratus aqueous extract alone. The results showed that gram-negative bacteria are more susceptible to CuO NPs-LFX nano conjugate and at 10 µgmL-1 concentration, form a 10.1 mm zone of inhibition (ZOI), whereas gram-positive bacteria on the same concentration form 9.5 mm ZOI. LFX-loaded CuO NPs antibacterial activity was observed higher than plant extract, bare CuO NPs, and standard drug (Levofloxacin). This study provides a novel approach for the fabrication of biogenic CuO NPs with antibacterial drug levofloxacin and their usage as nano antibiotic carriers against pathogenic bacteria, especially antibiotic-resistant microbes.

Eco-friendly approach to decrease the harmful effects of untreated wastewater on growth, yield, biochemical constituents, and heavy metal contents of carrot (Daucus carota L.).

Here, the impact of irrigation using untreated wastewater (WW) on carrots (Daucus carota L.) was examined. We hypothesized that the addition of ethylenediaminetetraacetic acid (EDTA), dry algal powder (Spirulina platensis or Chlorella vulgaris), and Salix alba leaves powder would function as chelators for harmful contaminants in wastewater. The findings showed that irrigation of carrot plants with the sampled untreated wastewater led to significant decreases in the shoot lengths, fresh, dry weights of shoots and roots at stage I, the diameter of roots, pigment content, carotenoids, total soluble carbohydrate content, and soluble protein content. Furthermore, a significantly increased level of proline, total phenols, and the activities of polyphenol oxidase (PPO), peroxidase (POX), superoxide dismutase (SOD), and catalase (CAT) was identified in stage I samples. In contrast to the stage I, the length of the roots, the number of leaves on each plant, wet and dry weights of the stage II roots were all greatly enhanced. In spite of the increased yield due to the wastewater irrigation, carrot roots irrigated with wastewater had significantly more cadmium (Cd), nickel (Ni), cobalt (Co), and lead (Pb) than is considered safe. Our data clearly show that the application of Spirulina platensis, Chlorella vulgaris, EDTA, and leaves powder of salix was able to alleviate the toxicity of wastewater on carrot plants. For example, we recorded a significant decrease in the accumulation of carrot's Cd, Ni, Co, and Pb contents. We conclude that the treatments with Spirulina platensis and Chlorella vulgaris can be utilized as eco-friendly tools to lessen the damaging effects of wastewater irrigation on carrot plants.

Design, Analysis, and Development of Low-Cost State-of-the-Art Magnetorheological-Based Microprocessor Prosthetic Knee.

For amputees, amputation is a devastating experience. Transfemoral amputees require an artificial lower limb prosthesis as a replacement for regaining their gait functions after amputation. Microprocessor-based transfemoral prosthesis has gained significant importance in the last two decades for the rehabilitation of lower limb amputees by assisting them in performing activities of daily living. Commercially available microprocessor-based knee joints have the needed features but are costly, making them beyond the reach of most amputees. The excessive cost of these devices can be attributed to custom sensing and actuating mechanisms, which require significant development cost, making them beyond the reach of most amputees. This research contributes to developing a cost-effective microprocessor-based transfemoral prosthesis by integrating off-the-shelf sensing and actuating mechanisms. Accordingly, a three-level control architecture consisting of top, middle, and low-level controllers was developed for the proposed prosthesis. The top-level controller is responsible for identifying the amputee intent and mode of activity. The mid-level controller determines distinct phases in the activity mode, and the low-level controller was designed to modulate the damping across distinct phases. The developed prosthesis was evaluated on unilateral transfemoral amputees. Since off-the-shelf sensors and actuators are used in i-Inspire, various trials were conducted to evaluate the repeatability of the sensory data. Accordingly, the mean coefficients of correlation for knee angle, force, and inclination were computed at slow and medium walking speeds. The obtained values were, respectively, 0.982 and 0.946 for knee angle, 0.942 and 0.928 for knee force, and 0.825 and 0.758 for knee inclination. These results confirmed that the data are highly correlated with minimum covariance. Accordingly, the sensors provide reliable and repeatable data to the controller for mode detection and intent recognition. Furthermore, the knee angles at self-selected walking speeds were recorded, and it was observed that the i-Inspire Knee maintains a maximum flexion angle between 50° and 60°, which is in accordance with state-of-the-art microprocessor-based transfemoral prosthesis.

New bithiophene derivative attenuated Alzheimer's disease induced by aluminum in a rat model via antioxidant activity and restoration of neuronal and synaptic transmission.

BACKGROUND: One of the hypotheses that leads to an increased incidence of Alzheimer's disease (AD) is the accumulation of aluminum in the brain's frontal cortex. The present study aimed to evaluate the therapeutic role of a novel bithiophene derivative at two doses against AlCl3-induced AD in a rat model. METHODOLOGY: Adult male rats were divided into six groups, 18 rats each. Group 1: naïve animals, group 2: animals received a daily oral administration of bithiophene dissolved in DMSO (1 mg/kg) for 30 days every other day, groups 3-6: animals received a daily oral administration of AlCl3 (100 mg/kg/day) for 45 consecutive days. Groups 4 and 5 received an oral administration of low or high dose of the bithiophene (0.5 or 1 mg/kg, respectively). Group 6; Animals were treated with a daily oral dose of memantine (20 mg/kg) for 30 consecutive days. MAIN FINDINGS: Al disturbed the antioxidant milieu, elevated the lipid peroxidation, and depleted the antioxidants. It also disturbed the synaptic neurotransmission by elevating the activities of acetylcholine esterase and monoamine oxidase resulting in the depletion of dopamine and serotonin and accumulation of glutamate and norepinephrine. Al also deteriorated the expression of genes involved in apoptosis and the production of amyloid-ß plaques as well as phosphorylation of tau. The new bithiophene at the low dose reversed most of the previous deleterious effects of aluminum in the cerebral cortex and was in many instances superior to the reference drug; memantine. CONCLUSION: Taking together, the bithiophene modulated the AD etiology through antioxidant activity, prevention of neuronal and synaptic loss, and probably mitigating the formation of amyloid-ß plaques and phosphorylation of tau.

Unique structural effect on the fluorosolvatochromism and dual fluorescence emission of D-π-A+ cationic chromophores with furyl bridge. An approach to white light emitters.

Photophysical behavior of two D - π - A+ cationic compounds with the same furyl bridge and nicotinamidine group as an electron acceptor moiety and two electron donating groups, namely methoxy (I) and N,N-dimethylamino (II) groups was examined using steady-state and time-resolved techniques in variety of solvents. Time-dependent density functional theory (TDDFT) calculations were performed in some representative solvents and compared with the experimental results. Steady state and time-resolved studies in different solvents reveal that fluorescence emission of (I) is ascribed to an emission from an excited state (ICT) with higher dipole moment than the ground state while the emission of (II) is a dual emission from a state with high charge transfer nature (ICT) in addition to the locally excited state (LE). The fluorescence emission spectra of (II) were found to depend on the excitation wavelength and an increase in the excitation wavelength led to the formation of a longer wavelength emission band with lower quantum yield. It has also been found that the fluorescence excitation spectra were dependent on the emission wavelength. The effect of solvent on the nature of dual emission was examined. Correlation of the photophysical properties of the excited states of (I) and (II) with the solvent polarity, ε, reveals the charge transfer nature of (I) and the long wavelength emission band of (II), while their correlation with the solvent polarity parameter (ETN) shows two different trends when the solvents are divided to aprotic and protic solvents. For precise investigation of the impact of each solvent parameter on each photophysical property, Catalán's and Laurence's four parametric linear solvation energy relationships were studied. We have found that the non-specific interactions of the solvent are primarily responsible for controlling the photophysical properties, as demonstrated by Catalán's and Laurence's treatments. DFT and TDDFT calculations were used to anticipate the dipole moments in the ground and excited states and geometry of both states.

Azafuramidines as potential anticancer Agents: Pro-apoptotic profile and cell cycle arrest.

The current study aimed to test the antiproliferative activity of three azafuramidines (X, Y, and Z) against three different human cell lines; liver HepG2, breast MCF-7, and bone U2OS. And to explore the molecular mechanism(s) of the antiproliferative activity of these derivatives. The three new azafuramidines demonstrated a potent cytotoxicity at < 2 µM against the three cell lines investigated. The azafuramidines were highly selective with selectivity index âˆ¼ 47 - 61 folds indicating safety to the normal cells. In the scratch assay, azafuramidines significantly reduced the percentage of wound healing indicating ability to prevent or reduce metastasis. Derivatives X and Z arrested the HepG2 cells at S and G2/M phases detected by the flow cytometry. Derivatives X, Y, and Z elevated the apoptosis of HepG2 cells by âˆ¼ 71 %, 66 %, and 59 %, respectively. Derivatives X and Z were superior to derivative Y. The potent antiproliferative, cell cycle arrest, and pro-apoptotic efficacy of these chlorophenyl derivatives could be attributed to their ability of inducing the overexpression of p53, p21, and p27. These derivatives had the potential to act as anticancer agents and merit further investigations.

A Wearable Force Myography-Based Armband for Recognition of Upper Limb Gestures.

Force myography (FMG) represents a promising alternative to surface electromyography (EMG) in the context of controlling bio-robotic hands. In this study, we built upon our prior research by introducing a novel wearable armband based on FMG technology, which integrates force-sensitive resistor (FSR) sensors housed in newly designed casings. We evaluated the sensors' characteristics, including their load-voltage relationship and signal stability during the execution of gestures over time. Two sensor arrangements were evaluated: arrangement A, featuring sensors spaced at 4.5 cm intervals, and arrangement B, with sensors distributed evenly along the forearm. The data collection involved six participants, including three individuals with trans-radial amputations, who performed nine upper limb gestures. The prediction performance was assessed using support vector machines (SVMs) and k-nearest neighbor (KNN) algorithms for both sensor arrangments. The results revealed that the developed sensor exhibited non-linear behavior, and its sensitivity varied with the applied force. Notably, arrangement B outperformed arrangement A in classifying the nine gestures, with an average accuracy of 95.4 ± 2.1% compared to arrangement A's 91.3 ± 2.3%. The utilization of the arrangement B armband led to a substantial increase in the average prediction accuracy, demonstrating an improvement of up to 4.5%.

Synthesis of inventive biphenyl and azabiphenyl derivatives as potential insecticidal agents against the cotton leafworm, Spodoptera littoralis.

The emergence of pest resistance of Spodoptera littoralis (order; Lepidoptera, family; Noctuidae) towards the large scale of different classes of insecticides necessitates the development of some new poly-functionalized biphenyl and azabiphenyl with highly anticipated insecticidal bioresponse. Four new biphenyl carboxamidines 4a-d and four aza-analogue picolinamidine derivatives 8a-d were designed and prepared via the treatment of their corresponding carbonitriles with lithium-bis trimethylsilylamide [LiN(TMS)2], followed by hydrolysis with hydrogen chloride. Furthermore, these compounds were elucidated by spectral data, and their toxicity and insecticidal activity were screened against Spodoptera littoralis. Whereby, toxicological and biochemical aspects of the inventively synthesized biphenyl and azabiphenyl derivatives against the cotton leafworm, Spodoptera littoralis were inspected. As regards the indomitable LC50 and LC90 values, biphenyl and aza-analogues 8d, 8a, 4b, and 8b, revealed the furthermost forceful toxic effects with LC50 values of 113.860, 146.265, 216.624, and 289.879 ppm, respectively. Whereby, their LC90 values are 1235.108, 1679.044, 2656.296, and 3381.256 ppm, respectively, and toxicity index being 22.31%, 17.36%, 11.72%, and 8.76%, respectively, comparing with the already recommended, methomyl insecticide, lannate 90% SP (LC50, 25.396 and LC90, 57.860 and toxicity index, 100%). Additionally, electrochemical parameters via DFT studies were carried out for demonstrating and elucidation of structure-activity relationship (SAR) according to highly motived compounds, descriptors, and the in vivo insecticidal activities.

Novel biphenylidene-thiopyrimidine derivatives as corrosion inhibitors for carbon-steel in oilfield produced water.

The inhibiting efficiency of three newly synthesized organic compounds:5-((4'-(dimethylamino)-[1,1'-biphenyl]-4-yl)methylene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (HM-1228), 5-((4'-(dimethylamino)-[1,1'-biphenyl]-4-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (HM-1227) and 5-((4'-(dimethylamino)-[1,1'-biphenyl]-4-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (HM-1226) in oilfield produced water on the corrosion of carbon steel has been examined via electrochemical measurements; potentiodynamic polarization (PDP) and electrochemical impedance (EIS) techniques. The adsorption of these compounds on the surface of carbon steel followed Langmuir isotherm. In addition, the surface morphology of uninhibited and inhibited carbon steel was examined by Atomic Force Microscopy (AFM), observing surface improvement when carbon steel samples exposed to the inhibited corrosive solutions. The average surface roughness (Ra) in oilfield produced water solution in the presence of 0.5 mM of HM-1228 inhibitor was 138.28 nm compared to the uninhibited surface 571.62 nm. To explore the corrosion inhibition mechanism, quantum chemical calculations and Monte Carlo simulations were utilized. The HM-1228 inhibitor demonstrated the highest corrosion inhibition efficiency at 94.8% by PDP measurements. The higher corrosion inhibition of compound HM-1228 can be attributed to the presence of di-N-ethyl groups that enhance both electron donating ability and lipophilic properties.

Design, synthesis, and performance evaluation of TiO2-dye sensitized solar cells using 2,2'-bithiophene-based co-sensitizers.

We report on the synthesis and characterization of six novel 2,2'-bithiophene-based organic compounds (3a-c and 5a-c) that are designed to serve as co-sensitizers for dye-sensitized solar cells (DSSCs) based on TiO2. The compounds are linked to various donor and acceptor groups, and we confirm their chemical structures through spectral analyses. Our focus is on enhancing the performance of metal based N3, and the compounds were designed to operate at the nanoscale. We performed absorption and fluorescence emission measurements in dimethylformamide (DMF), where one of our compounds 5a exhibited the longest maximum absorption and maximum emission wavelengths, indicating the significant impact of the para methoxy group as a strong electron-donating group. Our dyes 5a + N3 (η = 7.42%) and 5c + N3 (η = 6.57%) outperformed N3 (η = 6.16%) alone, where the values of short current density (JSC) and open circuit voltage (VOC) for these two systems also improved. We also investigated the charge transfer resistance at the TiO2/dye/electrolyte interface using electrochemical impedance spectroscopy (EIS), which is important in the context of nanotechnology. According to the Nyquist plot, the 5a + N3 cocktail exhibited the lowest recombination rate, resulting in the highest VOC. Our theoretical calculations based on density functional theory (DFT) are also in agreement with the experimental process. These findings suggest that our compounds have great potential as efficient DSSC co-sensitizers. This study provides valuable insights into the design and synthesis of new organic compounds for use as co-sensitizers in DSSCs based on TiO2 and highlights the potential of these compounds for use in efficient solar energy conversion.

Radiation cross-linked ultra-absorbent hydrogel to rationalize irrigation water and fertilizer for maize planting in drought conditions.

The study addresses the potential negative impacts of climate change on water resources, specifically irrigation water for crops. The radiation technique produces the biomaterial hydrogel as a soil conditioner by polymerizing hydroxy ethyl cellulose/acrylamide (HEC/AAm) at various irradiation doses and copolymer concentrations. A maximum swelling of 23.4 g/g is attained by (HEC/PAAm) hydrogel at 1/7.5 ratio, prepared by 10 kGy gamma irradiation. The study introduces a new class of ultra-absorbent hydrogel (UAH) to address the low swelling limitation for soil conditioner applications. The alkaline hydrolysis treatments with NaOH, LiOH, and KOH enhance the water absorbency of (HEC/PAAm) hydrogel, with the highest capacity of 1220 g/g achieved by the KOH treatment, surpassing NaOH (622 g/g) and LiOH (540 g/g). The cumulative release of fertilizers from the UAH sample shows a slow and controlled release behavior. Urea takes 22 days to reach 100 % release. The UAH demonstrates water retention for 28 days, improving the growth of Zea mays L. at drought stress levels of 0 %, 25 %, 50 %, and 100 %, revealing an increase in shoot length by 16 %, 19 %, 24 %, and 20 %, respectively. Also, UAH increased the contents of chlorophyll a, b, a + b, and carotenoid on maize plant leaves compared to the control sample.

Wastewater treatment with algal based membrane bioreactor for the future: Removing emerging containments.

The difficulty of developing pollutants in aquatic ecosystems and their potential effects on animals and plants have been raised. Sewage effluent can seriously harm a river's plant and animal life by reducing the water's oxygen content. Due to their increasing use and poor elimination in traditional municipal wastewater treatment plants (WWTPs), pharmaceuticals are one of the developing pollutants that have the potential to penetrate aquatic ecosystems. Due to undigested pharmaceuticals and their metabolites, which constitute a significant class of potentially hazardous aquatic pollutants. Using an algae-based membrane bioreactor (AMBR), the primary objective of this research was to eliminate emerging contaminants (ECs) identified in municipal wastewater. The first part of this research covers the basics of growing algae, an explanation of how they work, and how they remove ECs. Second, it develops the membrane in the wastewater, explains its workings, and uses the membrane to remove ECs. Finally, an algae-based membrane bioreactor for removing ECs is examined. As a result, daily algal production using AMBR technology might range from 50 to 100 mg/Liter. These kinds of machines are capable of nitrogen and phosphorus removal efficiencies of 30-97% and 46-93%, respectively.

A fruitful century for the scalable synthesis and reactions of biphenyl derivatives: applications and biological aspects.

This review provides recent developments in the current status and latest synthetic methodologies of biphenyl derivatives. Furthermore, this review investigates detailed discussions of several metalated chemical reactions related to biphenyl scaffolds such as Wurtz-Fittig, Ullmann, Bennett-Turner, Negishi, Kumada, Stille, Suzuki-Miyaura, Friedel-Crafts, cyanation, amination, and various electrophilic substitution reactions supported by their mechanistic pathways. Furthermore, the preconditions required for the existence of axial chirality in biaryl compounds are discussed. Furthermore, atropisomerism as a type of axial chirality in biphenyl molecules is discussed. Additionally, this review covers a wide range of biological and medicinal applications of the synthesized compounds involving patented approaches in the last decade corresponding to investigating the crucial role of the biphenyl structures in APIs.

Association of single nucleotide polymorphisms with dyslipidemia and risk of metabolic disorders in the State of Qatar.

BACKGROUND: Dyslipidemia is recognized as one of the risk factors of cardiovascular diseases (CVDs), type 2 diabetes mellitus (T2DM), and non-alcoholic fatty liver disease (NAFLD). OBJECTIVE: The study aimed to investigate the association between selected single nucleotide polymorphisms (SNPs) with dyslipidemia and increased susceptibility risks of CVD, NAFLD, and/or T2DM in dyslipidemia patients in comparison with healthy control individuals from the Qatar genome project. METHODS: A community-based cross-sectional study was conducted among 2933 adults (859 dyslipidemia patients and 2074 healthy control individuals) from April to December 2021 to investigate the association between 331 selected SNPs with dyslipidemia and increased susceptibility risks of CVD, NAFLD and/or T2DM, and covariates. RESULTS: The genotypic frequencies of six SNPs were found to be significantly different in dyslipidemia patients subjects compared to the control group among males and females. In males, three SNPs were found to be significant, the rs11172113 in over-dominant model, the rs646776 in recessive and over-dominant models, and the rs1111875 in dominant model. On the other hand, two SNPs were found to be significant in females, including rs2954029 in recessive model, and rs1801251 in dominant and recessive models. The rs17514846 SNP was found for dominant and over-dominant models among males and only the dominant model for females. We found that the six SNPs linked to gender type had an influence in relation to disease susceptibility. When controlling for the four covariates (gender, obesity, hypertension, and diabetes), the difference between dyslipidemia and the control group remained significant for the six variants. Finally, males were three times more likely to have dyslipidemia in comparison with females, hypertension was two times more likely to be present in the dyslipidemia group, and diabetes was six times more likely to be in the dyslipidemia group. CONCLUSION: The current investigation provides evidence of association for a common SNP to coronary heart disease and suggests a sex-dependent effect and encourage potential therapeutic applications.

Experimental and computational approaches of methoxy naphthylbithiophene derivatives and their use as corrosion protection for carbon steel in acidic medium.

The inhibition efficiency and adsorption affinity were investigated for two novel compounds, namely: 6-methoxy-2-naphthyl-[2, 2'-bithiophene]-5-carboxamidine hydrochloride salt (MA-1440) and 5'-(4-chlorophenyl)-2, 2'-bifuran-5-carboxamidine hydrochloride salt (MA-1456). The inhibition study was conducted on carbon steel surface in 1.0 M HCl with different inhibitor doses and different temperature levels, to investigate the optimum dose and preferable temperature. The performed investigation included chemical, electrochemical, instrumental, and quantum computation techniques. A chemical technique was accomplished by using weight-loss measurements. Different factors were studied using weight-loss measurements in order to reach the maximum inhibition efficiency. The adsorption study revealed that the examined inhibitors obey the Langmuir adsorption isotherm and are chemically adsorbed on the steel surface. The electrochemical measurements were accomplished through the electrochemical impedance (EIS) and potentiodynamic polarization (PDP) techniques. Based on the electrochemical measurements, the examined compounds were categorized as mixed inhibitors. The instrumental examination using different techniques namely: scanning electron microscope (SEM), energy dispersive X-ray (EDX), Fourier-transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS) confirmed that the considered inhibitors are excellently adsorbed over the carbon steel surface. The extent of the adsorption affinity of these compounds on the carbon steel surface was studied theoretically using quantum computations and Monte Carlo simulation. The theoretical investigation results of quantum chemistry were validated with those obtained by chemical and electrochemical methodologies. All investigations prove that, the tested compounds were adsorbed chemically on the steel surface and achieved maximum inhibition efficiency of, 94.69% and 90.85% for M-1440 and MA-1456, respectively, at the optimum concentration 30 [Formula: see text] 10-6 mol L-1 and temperature 328 K.

Management of chronic myeloid leukaemia: current treatment options, challenges, and future strategies.

ABSTRACTSmall molecule therapy is a critical component of targeted anticancer treatment, with tyrosine kinase inhibitors (TKIs) being the first compounds to treat the clonal Chronic Myelogenous Leukaemia (CML) translocation t (9;22) (q34; q11) effectively since 2001. TKIs, such as imatinib, have improved the 10-year survival rate of CML patients to 80%. They bind the BCR::ABL1 kinase and inhibit downstream signaling pathways. However, therapy failure may be seen in 20-25% of CML patients due to intolerance or inadequacy related to BCR::ABL1 dependent or independent mechanisms. This review aimed to summarize current treatment options involving TKIs, resistance mechanisms and the prospective approaches to overcome TKI resistance. We highlight BCR::ABL1-dependent mechanisms of TKI resistance by reviewing clinically-documented BCR::ABL1 mutations and their consequences for TKI binding. In addition, we summarize BCR::ABL1 independent pathways, including the relevance of drug efflux, dysregulation of microRNA, and the involvement of alternative signaling pathways. We also discuss future approaches, such as gene-editing techniques in the context of CML, as potential therapeutic strategies.

Synthesis of efficient bi-anchoring bifuran/biphenyl derivatives for dye-sensitized solar cell applications.

The synthesis, description, and demonstration of dye-sensitive solar cell sensitizers containing bifuran/biphenyl derivatives with cyanoacetic acid, barbiturate, thiobarbituric acid, and 4-carboxylcyanoacetamides have been reported. A photovoltaic performance measurement was conducted using the Ru(ii) dye N3 as a reference to examine the effects of different electron acceptor units and replacement of the π-spacer bifuran by biphenyl units on the photophysical, electrochemical, and photovoltaic properties of eight new distinct organic dyes HB-1-8. The new organic dyes HB-1-8 were prepared and compared with the N3 metal dye. Density functional theory calculations were carried out to explore the ground state geometrical structures and electronic structures of the eight dyes. Under standard global AM 1.5 solar condition, the solar cells based on HB-1-8 show the overall power conversion efficiencies of 2.93-5.51%. The presented research shows that the organic dye photovoltaic performances can vary greatly depending on the type of electron donor and acceptor used. Dye HB-3 exhibited the highest efficiency among the eight investigated dyes, reaching 5.51% with a V OC value higher than N3.

Assessment of Low-Density Force Myography Armband for Classification of Upper Limb Gestures.

Using force myography (FMG) to monitor volumetric changes in limb muscles is a promising and effective alternative for controlling bio-robotic prosthetic devices. In recent years, there has been a focus on developing new methods to improve the performance of FMG technology in the control of bio-robotic devices. This study aimed to design and evaluate a novel low-density FMG (LD-FMG) armband for controlling upper limb prostheses. The study investigated the number of sensors and sampling rate for the newly developed LD-FMG band. The performance of the band was evaluated by detecting nine gestures of the hand, wrist, and forearm at varying elbow and shoulder positions. Six subjects, including both fit and amputated individuals, participated in this study and completed two experimental protocols: static and dynamic. The static protocol measured volumetric changes in forearm muscles at the fixed elbow and shoulder positions. In contrast, the dynamic protocol included continuous motion of the elbow and shoulder joints. The results showed that the number of sensors significantly impacts gesture prediction accuracy, with the best accuracy achieved on the 7-sensor FMG band arrangement. Compared to the number of sensors, the sampling rate had a lower influence on prediction accuracy. Additionally, variations in limb position greatly affect the classification accuracy of gestures. The static protocol shows an accuracy above 90% when considering nine gestures. Among dynamic results, shoulder movement shows the least classification error compared to elbow and elbow-shoulder (ES) movements.

Ball bearing vibration data for detecting and quantifying spall faults.

Ball bearings are essential components of electromechanical systems, and their failures significantly affect the service lifetime of these systems. For highly reliable and safety-critical electromechanical systems in energy and aerospace sectors, early bearing fault detection and quantification are crucial. The vibration measurements of bearing fatigue faults, i.e., spalls, are typically induced by multiple excitation mechanisms depending on the fault size and the operating conditions. This data article contains vibration datasets for faulty ball bearings, including the common vibration excitation mechanisms for various fault sizes and operating conditions. These faults are artificially seeded on bearing races by a precise machining process to emulate realistic fatigue faults. This data article is beneficial for better understanding the vibration signal characteristics under different fault sizes and for validating condition monitoring methods for various industrial and aerospace applications.

Synthesis, DFT investigations, antioxidant, antibacterial activity and SAR-study of novel thiophene-2-carboxamide derivatives.

Synthetic strategy for the synthesis of thiophene 2-carboxamide derivatives substituted with hydroxyl, methyl and amino groups at position-3 was proposed. The strategy includes the cyclization of the precursor ethyl 2-arylazo-3-mercapto-3-(phenylamino)acrylate derivatives, 2-acetyl-2-arylazo-thioacetanilide derivatives and N-aryl-2-cyano-3-mercapto-3-(phenylamino)acrylamide derivatives with N-(4-acetylphenyl)-2-chloroacetamide in alcoholic sodium ethoxide. IR, 1H NMR, and mass spectroscopic analyses were used to characterize the synthesized derivatives. In addition, molecular, electronic properties of the synthesized products were studied by the density functional theory (DFT) where they exhibited close HOMO-LUMO energy gap (ΔEH-L) in which the amino derivatives 7a-c have the highest while the methyl derivatives 5a-c were the lowest. Using the ABTS method, the antioxidant properties of the produced compounds were evaluated, where amino thiophene-2-carboxamide 7a exhibit significant inhibition activity 62.0% compared to ascorbic acid The antibacterial activity against two pathogenic Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis) and two of pathogenic Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) revealed that 7b records the highest activity index compared to ampicillin 83.3, 82.6, 64.0, 86.9%, respectively. Furthermore, the thiophene-2-carboxamide derivatives were docked with five different proteins with the use molecular docking tools and the results explained interactions between amino acid residue of enzyme and compounds. Compounds 3b and 3c showed the highest binding score with 2AS1 protein.