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Polyaniline (PANI) is a promising conductive polymer for use in energy storage applications. Here, a one-step hydrothermal method of PANI polymerization on carbon felt electrode was synthesized using an azo dye, a bisulfonated dichloro anionic dye molecule to enhance an efficient textile-based flexible supercapacitor electrode material for energy storage applications. The electrode material synthesized at concentration of 2 mM AY17 exhibits 814.1 F g-1 at the scan rate of 5 mV s-1 with multiwall carbon nanotubes (MWCNTs). Due to electrostatic interaction with the polymer, the presence of high electronegativity Cl atoms in the dye molecule significantly improves the PANI structure's electron donor/acceptor properties. A symmetric supercapacitor exhibits an energy density of 11.7 W h kg−1 at a power density of 300 W kg−1, and it is 4.5 W h kg−1 at 1800 W kg−1 in 3.0 M KCl aqueous electrolyte. The capacitance retention performance value of the symmetric supercapacitor exhibited 81.76% after 2500 cycles.

Packaging must have a good commercial appearance and is generally obtained by ink transferred to its substrate. It is important that the ink used in packaging printing is produced from environmentally friendly and sustainable raw materials as well as being suitable for the printing system. The increasing demand in the field of printed packaging and the scarcity of resources to meet this demand have accelerated the search for new sources for inks. For this purpose, inks produced in the laboratory using a modified cellulose-based binder, a commercial acrylic resin and a commercial soybean protein were compared with a commercial ink. As a result of the study, it was determined that the printability properties of the ink obtained by using the modified cellulose-based binder were better than the ink obtained with commercial soybean protein. It was determined that it showed printability properties close to the ink produced with commercial acrylic binders. By using modified cellulose-based water-based flexographic ink instead of other commonly used binders, more environmentally friendly sustainable inks can be produced.

This paper aims to report the synthesis of two new organotin(IV) carboxylate derivatives, triphenyltin(IV) 4-aminobenzoate (2) and triphenyltin(IV) 4-nitrobenzoate (3) and to examine their antibacterial activity as a disinfectant. These compounds were prepared by reacting triphenyltin(IV) hydroxide (1) with 4-aminobenzoic acid and 4-nitrobenzoic acid, respectively. Compound (2) was obtained as a yellow solid with a yield of 84.09% and compound (3) in the form of a white solid with a yield of 80.70%. These compounds were well characterized using UV-Vis spectrometry, FT-IR spectrometry and NMR spectroscopy. The bioactivity test as a disinfectant was tested against Salmonella typhosa and Staphylococcus aureus. The activity test was carried out by measuring the optical density (OD) of the tested compounds with concentration variations of 5x10-3, 1x10-3, and 5x10-4 M in methanol and 5% dimethyl sulfoxide (DMSO), commercial Wipol (2.5% pine oil) was used as a positive control with observations monitored at contact times of 0, 5, 10, and 15 minutes. The results showed that of both compounds were active against the two bacteria compared to the positive control with compound 3 found to be more active than compound 2.

Diabetes mellitus (DM), closely related to diabetic nephropathy, is one of the major public health problems worldwide. Today, with the increasing understanding of the underlying pathophysiology of DM, new oral anti-diabetic treatment strategies are being developed. Vanadium is a transition element that is widely distributed in nature, and its oral administration has been reported to improve DM in humans and a variety of diabetic animal models. The purpose of the research is to explore the effect of vanadyl sulfate (VS) administration on the different enzyme activities associated with kidney injury in streptozotocin- (STZ) induced diabetic rats. Male rats were assigned into groups as follows: untreated control, control animals given VS (100 mg/kg), diabetic (a single dose of intraperitoneal STZ, 65 mg/kg), and diabetic + VS (same dose) group. VS was administered orally for 60 days after the induction of diabetes. On the 60th day of experiment, kidney samples were taken for analysis. According to the data obtained from the biochemical analysis, the activities of transaminases, alkaline phosphatase, carbonic anhydrase, and γ-glutamyl transpeptidase decreased, whereas superoxide dismutase activity elevated in the kidney tissue of VS treated hyperglycemic animals. The results suggested that VS improved the diabetic renal injury, probably by VS insulin-mimic and antioxidant behavior through decreased oxidative stress and increased antioxidant capacity. Therefore, vanadyl sulfate might be used as a potential oral anti-diabetic compound in the treatment of the diabetic nephropathy, and as an important control for elevated blood glucose levels in the diabetic state.

Application of Pistacia atlantica Leaves Powder as Natural Material To Remove Nitrate and Phosphate Ions From Domestic Wastewater by Characterization, Bio-removal, and Phytotoxicity StudiesObaida Alhajali1* , Adnan Ali-Nizam1 , Rasha Almostafa2 1Damascus University, Department of Plant Biology, Damascus, Syria.2International University for Science and Technology, Department of General and Analytical Chemistry, Syria. Abstract: Description of Pistacia leaves powder using scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), Energy-dispersive X-ray spectroscopy (EDX), specific surface area according to nitrogen adsorption (SBET) and methylene Blue (MB), and point of zero charge determination (pHpzc). A series of batch adsorption tests were conducted to study effect of various factors (plant powders dose, contact time, temperature, pH) on the percentage of nitrate and phosphate removal from domestic wastewater. The adsorption kinetics, regeneration ability test of plant powder, and phytotoxicity tests for treated water and spent powder on germination were studied. Results of SBET analysis showed that Pistacia leaves powders have a low surface area and microscopic pores, SEM images revealed rough surfaces with uneven cavities, EDX analysis showed that there are high percentages of carbon and oxygen, good percentages for nitrogen, and few percentages of potassium, calcium, magnesium, phosphorous, sulfur and chlorine, and FTIR analysis showed that there are more than five distinct absorption peaks. The maximum value of nitrate and phosphate removal was 76.47% and 52.20%, respectively, at powder dose of 2 g/L, temperature 25 °C, and pH 5, and the percentage of nitrate and phosphate removal increased with increasing contact time until equilibrium was reached after 120 min for nitrate and 180 min for phosphate, and It was found that adsorption of ions follows kinetics of reaction from pseudo-second-order model, and powders can be Regeneration and used for two successive cycles with a slight decrease in removal efficiency. Germination tests on Lepidium sativum indicate no phytotoxicity. That is, Pistacia leaves powder is one of the natural products that are effective in removing nitrate and phosphate from domestic wastewater.

Sickle cell anemia is one of the single point mutation diseases with symptoms such as stroke, lethargy, chronic anemia, and increased mortality, and it causes red blood cells to become sickle-shaped. In the study, a biosensor system was developed to detect this mutation quickly and cost-effectively. This biosensor system was prepared by forming a SAM layer with 4-Aminothiophenol (4-ATP) on the gold electrode, and coating it with amino graphene. It was then modified with SG-RNA with the sequence of the target mutation after CRISPR-dCas9 immobilization. The nanomaterial used in the preparation of the biosensor increased the sensitivity of the method by increasing the surface area. The biosensor prepared in this way was optimized and made to perform DNA analysis. As a measurement method, electrochemical impedance spectroscopy (EIS) was used. Electrochemical measurements were carried out in 50 mM pH 7.0 phosphate buffer solution, which includes 5 mM Fe(CN)64- /3- and 10 mM KCl, as redox probe solution by CV and EIS in this redox probe solution. EIS parameters were 10,000–0.05 Hz frequency, 10 mV AC and 180 mV DC potentials, and CV parameters were between - 0.2 to 0.5 V potential, 100 mV/s scan rate for 5 cycles. The DNA measurement time of the biosensor system was determined by the chronoimpedance measurements taken by applying a frequency of 500 Hz under 200 mV DC current. Measurement time of the biosensor was found to be 100 seconds. With the CRISPR-Cas9 based electrochemical biosensor system, which gives faster results compared to the measurement methods in the literature, a linear measurement between 40 pM and 1000 pM with a length of 400 base pairs was taken.

ispartof: SEPARATION AND PURIFICATION REVIEWS vol:52 issue:3 pages:242-261 status: accepted

The concentrations of linker group effect different physicochemical features of the biopolymer, including thermal stability, shape, swelling, and water solubility. Herein, three novel chitosan (CH) based films (CHSD1-3) have been prepared by a facile method for their film characteristics. Thus, amphiphilic salicylaldehydediol (SD) was synthesized from hydrophilic glycidol and salicylaldehyde in high yield and regioselectivity. CHSD1-3 films were prepared by the imine condensation reaction of polymeric chitosan backbone and various ratios of SD linker. The reaction takes place with high conversation and amazingly mechanically resistant thickness films without using any plasticizer that exhibits low water solubility and low swelling ratios at pH > 3, which can be suggested as thin layer protecting systems for medical devices. Chitosan-salicylaldehydediol biopolymer films were characterized by Fourier transform infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC), and X-ray diffraction (XRD) methods. The FT-IR, DSC, and XRD results show a clear linkage of the SD group to the chitosan backbone, high thermal stability of the films, and a change in the original nature of chitosan, respectively. Scanning Electron Microscopy (SEM) observations have also supported the successful grafting of the SD group onto the chitosan.

ispartof: JOURNAL OF ENERGY CHEMISTRY vol:70 pages:492-501 status: published

In this study, using a new polymer combination of Chitosan(CH)/Xanthan Gum(XG) has been exhibited for wound dressing implementation by the 3D-Printing method, which was fabricated due to its biocompatible, biodegradable, improved mechanical strength, low degradation rate, and hydrophilic nature to develop cell-mimicking, cell adhesion, proliferation, and differentiation. Different concentrations of XG were added to the CH solution as 0.25, 0.50, 0.75, 1, and 2 wt% respectively in the formic acid/distilled water (1.5:8.5) solution and rheologically characterized to evaluate their printability. The results demonstrated that high mechanical strength, hydrophilic properties, and slow degradation rate were observed with the presence and increment of XG concentration within the 3D-Printed patches. Moreover, in vitro cell culture research was conducted by seeding NIH 3T3 fibroblast cells on the patches, proving the cell proliferation rate, viability, and adhesion. Finally, 1% XG and 4% CH containing 3D-Printed patches were great potential for wound dressing applications.

Dye sensitized solar cells (DSSCs) are photovoltaic devices that produce electricity from the photon energy of sunlight using dyes. Dyes used DSSCs should have a broad absorption spectrum at the UV-Vis region and should be strongly bound to the photoanode surface. Dyes are used in DSSCs can be classified into three types: metal complex dyes, metal-free organic dyes and natural dyes. For metal complex dyes, ruthenium is usually used as metal centers. While most Ru complex dyes have high efficiency, Ru is a rare metal. To decrease the cost of Ru complex dyes, transition metals are widely investigated. In this work, diphenylcarbazone and tartrazine with different metal complexes were synthesized and investigated for their suitability for DSSCs. UV-Vis was used for the characterization of dyes and linear sweep voltammetry and electrochemical impedance spectroscopy were used to investigate the performance of DSSCs.

Diminishing supply and environmental pollution of fossil fuels are the vital factors leading to the search of alternative sources of energy like biodiesel. Biodiesel is one of the eco-friendly substitutes of energy which is mainly utilized in diesel engines. Ricinus communis (castor plant), which belongs to the family Euphorbiaceae yields an oil rich beans and plays important role in the production of biodiesel. Recently, the demand of castor oil and its products has been raised in the world market due to its versatility to use and simplicity to produce. Therefore, this study investigates the extraction of castor oil and its conversion in to biodiesel via alkali catalyzed transesterification. The seed oil of the plant was extracted using Soxhlet apparatus and the quality of the biodiesel was examined using the standard procedures of American standards for testing methods. Furthermore, the chemical composition of the extracted oil was examined using GC-MS. The seed oil was liquid at room temperature (25 °C), golden yellow in color with a nutty odor. The extraction processes yielded 324 g (9.25% w/w) and 78% of oil and biodiesel respectively. The density (0.86 g/mL), viscosity (5.42 mm2s-1), flash point (87 °C), acid value (0.35 mg KOH/g), water content (0.80%), iodine value (108.60), and cetane number (58.00) were reported in this study and showed a good agreement with the standards of biodiesel. GC-MS analysis of the seed oil also showed the presence of 10 different fatty acids (9-Octadecenoic acid, 12-hydroxy-, methyl ester, [R-(Z)] took the highest composition) which plays significant role for the production of methyl esters. So, the study can assure that castor oil can be used for commercial production of biodiesel at cost effective scales.

A novel class of readily accessible tartramide ligands has been demonstrated to promote copper-catalysed N-arylation under mild conditions. In addition, the coupling protocol employs cheap and readily available pre-catalyst, ligand, and base (NaOH), and overcomes many current limitations often associated with Ullmann coupling: it can be run with low catalyst loadings, does not require the use of excess amine, gives excellent conversions at room temperature, is fully homogeneous, and displays improved tolerance to air and moisture. Detailed kinetic studies using reaction progress kinetic analysis (RPKA) methods have provided insight into the factors influencing the reaction rate in terms of impact of ligand structure, reactant / catalyst dependence and catalyst (in)stability. These kinetic insights have been used in a quality-by-design approach for further optimization of the reaction protocol. The reaction scope was extended to 22 examples, showing broad applicability for a wide range of substituted aryl iodides with both primary and secondary amines.

The chemistry of boron compounds has been profoundly investigated in the last decades, leading to ubiquity in many synthetic applications as well as biologically active molecules. Since the advent of photoredox catalysis, an upsurge in the discovery of suitable radical precursors has been witnessed, and boron is becoming a protagonist in this field. Despite many studies focused on trifluoroborates, the use of boronic acids and esters have received much less attention in this regard. Because of their high oxidation potential, the development of methods to enable their involvement in photocatalyzed reactions is only recent. Nonetheless, this review summarizes novel strategies developed to unlock their role as radical precursors in photochemical reactions and discloses the potential that boronic acids and esters own, when their intrinsic chemical properties are exploited.

In this paper, the no-wait flow shop problem with earliness and tardiness objectives is considered. The problem is proven to be NP-hard. Recent no-wait flow shop problem studies focused on familiar objectives, such as makespan, total flow time, and total completion time. However, the problem has limited studies with solution approaches covering the concomitant use of earliness and tardiness objectives. A novel methodology for the parallel simulated annealing algorithm is proposed to solve this problem in order to overcome the runtime drawback of classical simulated annealing and enhance its robustness. The well-known flow shop problem datasets in the literature are utilized for benchmarking the proposed algorithm, along with the classical simulated annealing, variants of tabu search, and particle swarm optimization algorithms. Statistical analyses were performed to compare the runtime and robustness of the algorithms. The results revealed the enhancement of the classical simulated annealing algorithm in terms of time consumption and solution robustness via parallelization. It is also concluded that the proposed algorithm could outperform the benchmark metaheuristics even when run in parallel. The proposed algorithm has a generic structure that can be easily adapted to many combinatorial optimization problems.

© 2023 International Union of Biochemistry and Molecular Biology, Inc.Antiproliferative activity of Achillea vermicularis extracts was calculated on glial (C6) and keratinocyte (HaCaT) cell lines using XTT assay. It was observed that all extracts of A. vermicularis at the determined concentration were not cytotoxic in HaCaT cell lines. The nanoparticles (NPs) of the extract with the best cytotoxic activity was prepared, and necessary characterization studies were performed. Results showed that NP containing the extract has a lower IC50 value and more cytotoxic activity in C6 cells compared to the only extract. Furthermore, the antiepileptic potentials of these substances were explored in this study. The effect of A. vermicularis extracts on the enzyme activities of carbonic anhydrase I and II isoenzymes (hCA I and hCA II) was measured using spectrophotometry to achieve this goal. A. vermicularis extracts demonstrated high inhibitory activities compared to standard inhibitor (acetazolamide, AAZ), with IC50 values in the range of 5.04–10.8 μg/ml for hCA I, and 5.40–9.22 μg/ml for hCA II. High-performance liquid chromatography diode array detector (HPLC-DAD) was used in this investigation to assess the main chemicals found in the extract and NPs. The results showed that the ethanol extract (157.636 μg/mg extract) and NPs (4.631 μg/mg extract) had a significant amount of the 8-hydroxy salvigenin component.

Financial support by Principado de Asturias (Project SV-PA-21-AYUD-2021-51542) is gratefully acknowledged.

Beer quality generally diminishes over time as staling compounds accumulate through various oxidation reactions. Here, we show that refermentation, a traditional practice where Saccharomyces cerevisiae cells are added to beer prior to bottling, diminishes the accumulation of staling aldehydes. However, commonly used beer yeasts only show a limited lifespan in beer. Using high-throughput screening and breeding, we were able to generate novel S. cerevisiae hybrids that survive for over a year in beer. Extensive chemical and sensory analyses of the two most promising hybrids showed that they slow down the accumulation of staling aldehydes, such as furfural and trans-2-nonenal and significantly increased beer flavor stability for up to 12 months. Moreover, the strains did not change the original flavor of the beer, highlighting their potential to be integrated in existing products. Together, these results demonstrate the ability to breed novel microbes that function as natural and sustainable anti-oxidative food preservatives. ispartof: FOOD CHEMISTRY vol:398 ispartof: location:England status: published

ispartof: Journal Of Energy Chemistry vol:76 pages:165-174 status: published

Glutatyon redüktaz (GR), oksitlenmiş glutatyondan (GSSG) indirgenmiş glutatyonun (GSH) geri kazanımını katalize ederek GSH/GSSG oranını korumak için gerekli olan önemli bir antioksidan enzimdir. Bu hayati görev nedeniyle, GR'nin inhibisyonu birçok hastalığın tedavisinde önemli bir hedeftir, bu nedenle ilaç tasarımında yol gösterici olacak yeni GR inhibitörlerini belirlemeyi amaçladık. Daha önce, farklı 2-aminotiyazol analoglarının in vitro antikanser değerlendirme çalışmaları, meme, lösemi, akciğer, kolon, CNS, melanom, yumurtalık, böbrek ve prostat gibi çok çeşitli insan kanserli hücre hatlarına karşı güçlü ve seçici nanomolar inhibitör aktiviteleri sergiledikleri çalışmalarla doğrulandı. Çalışmamızda taze insan eritrositlerinden izole edilen GR üzerine, C-2 pozisyonunda amino grubu içeren ve terapötik uygulamalarda çekirdek yapı olarak kullanılan tiyazol türevi altı maddenin inhibisyon etkisini araştırdık. 2-amino-4-(2,4-diflorofenil)tiyazol, 2-amino-4-(4-bromofenil)tiyazol, 2-amino-5-metil-4-feniltiyazol, 2-amino-4-(5,6) ,7,8-tetrahidro-2-naftil)tiyazol, 2-amino-4-(4-klorofenil)tiyazol, 4-(3,4-diflorofenil)-1,3-tiyazol-2-amino bileşiklerinin sırasıyla IC50 değerleri 0,64 µM, 3,69 µM, 42,8 µM, 0,91 µM, 0,63 µM ve 21 µM olarak belirledik. Ki değerleri ise sırasıyla 0,006±0,00048 µM, 0,33±0,11 µM, 63,61±0,33 µM, 0,905±0,073 µM, 0,89±0,47 µM, 97,44 µM olarak hesaplandı. En yüksek inhibisyon etkisini 2-amino-4-(2,4-diflorofenil) tiyazol, en düşük inhibisyon etkisini ise 4-(3,4-diflorofenil)-1,3-tiyazol-2-aminonun gösterdiği görüldü. Sadece 2-Amino-4-(2,4-diflorofenil) tiyazolün yarışmalı inhibisyon sergilediği, diğer bileşiklerin yarışmasız inhibisyon sergilediği görüldü. Çalışmamız,bu tiyazol türevlerinin güçlü GR inhibitörleri olduğunu, yeni ilaç adayların belirlenmesi için yol gösterici olarak kullanılabileceğini göstermektedir., Glutathione reductase enzyme (GR) is an important enzyme that catalyzes the formation of reduced glutathione (GSH) from oxidized glutathione (GSSG) and undertakes the task of maintaining the GSH/GSSG ratio in the body. This important task has made the inhibition of GR an important target in the treatment of many diseases. Therefore, it is very important to identify new GR inhibitors that can be used in drug design. In vitro anticancer studies of different 2-aminothiazole analogs have been shown to have potent inhibitory activities against a wide variety of human cancer cell lines, including lung, leukemia, breast, ovarian, kidney, melanoma, colon, CNS, and prostate. We investigated the inhibition effect of six thiazole derivatives, which contain an amino group at the C-2 position and used as a core structure in therapeutic applications, on GR isolated from fresh human erythrocytes. We determined the IC50 values of compounds 2-amino-4-(2,4-difluorophenyl) thiazole, 2-amino-4-(4-bromophenyl)thiazole, 2-amino-5-methyl-4-phenylthiazole, 2-amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole, 2-amino-4-(4-chlorophenyl)thiazole, 4-(3,4-difluorophenyl)-1,3-thiazole-2-amino 0,64 µM, 3,69 µM, 42,8 µM, 0,91 µM, 0,63 µM ve 21 µM respectively. Ki values were calculated as 0,006±0,00048 µM, 0,33±0,11 µM, 63,61±0,33 µM, 0,905±0,073 µM, 0,89±0,47 µM, 97,44 µM respectively. It was observed that 2-amino-4-(2,4-difluorophenyl) thiazole had the highest inhibition effect and 4-(3,4-difluorophenyl)-1,3-thiazol-2-amino had the lowest inhibition effect. It was observed that only 2-amino-4-(2,4-difluorophenyl)thiazole exhibited competitive inhibition, while other compounds exhibited non-competitive inhibition. Our study shows that these thiazole derivatives are potent GR inhibitors and can be used as a guide for the identification of new drug candidates.

Apomorphine is currently used as a dopamine agonist to treat advanced Parkinson Disease. In the present study, we developed a sensitive, simple, reliable, and robust HPLC method for quality control of apomorphine hydrochloride in bulk drug and pharmaceutical formulations. C18 column was used for separation. Isocratic elution was performed using mobile phase A: 50 mM potassium dihydrogen phosphate solution (pH:3 with ortho-phosphoric acid), B: acetonitrile in the ratio of 85:15 (A: B), and the mobile-phase flow rate was kept at 1 mL min-1. Analyses were carried out at 272 nm using a UV detector. A perfect linear relationship between peak-area versus drug concentration in the range of 10‑100 μg mL-1 was observed (r2, 0.9999). It has been found that the developed method is sensitive (Detection and quantification limits were determined as 1.3 μg mL-1 and 3.8 μg mL-1, respectively), precise (RSD

In this survey, some methods of extraction of thorium such as selective extraction of thorium using phosphorodiamidate, selective cloud point extraction of thorium, extraction of thorium from sulfuric acid baking and leaching of monazite, extraction of thorium from chloride solution using Schiff base were discussed. The decomposition of monazite was manifested by sulfuric acid baking and leaching at an elated temperature. The recovery of thorium (Th) from various sources of rare earth and some selective extraction of thorium by using phosphorodiamidate as an extractant was also reported. Using a special synthesized surface-active ionic liquid extractant (SAIL), the cloud point extraction of thorium was analyzed. A synthesized Schiff base was applied for the extraction of thorium in the strategic solvent extraction method. Thorium, using α-amino phosphate extractant from bastnaesite, recovered by using Cyanex 572 and N1923, recovery of Th from industrial residues and recovery of Th from radioactive waste by using IREPO and monazite leached solution were discussed. In this study, the recovery of thorium from the industrial residue as well as from radioactive residue was also discussed.

The objective of this paper was preliminary to extract and characterization of purified pectin from lemon wastes. Dry lemon waste was extracted applying citric acid solvent or water at various concentrations under a similar condition (85 ºC for 4 h). It was found that the highest yield of pectin (20.8% dry basis) was achieved using hot water extraction with an esterification degree of 47.8%. It contained 63.2 ± 0.74% galacturonic acid, followed by 17.4 ± 0.76% total sugar. The monosaccharides found in pectin were arabinose (2.7 ± 0.20%), galactose (2.3 ± 0.01%), glucose (1.4 ± 0.09%), mannose (0.4 ± 0.01%), fructose (0.4 ± 0.05%), and xylose (0.1 ± 0.01%). The found pectin had a high atomic weight of 2060 kDa with a wide polydispersity index of 4.41, decided by high-Performance Size Exclusion Chromatography (HPSEC). The extricated lemon waste pectin was grouped into low methoxyl pectin, depends on the methoxyl content and degree of esterification affirmed by Fourier transform infrared spectroscopy (FT-IR) and rheological properties. In conclusion, the discoveries of the study show that lemon waste can be investigated as a promising elective for the commercial manufacturing of pectin.

© 2022 by the authors.This research aims to estimate the delivery time and energy cost of e-scooter vehicles for distributing mail or packages and to show the usage efficiency of e-scooter sharing services in postal service delivery in Turkey. The machine learning (ML) methods used to implement the prediction of delivery time and energy cost as output variables include random forest (RF), gradient boosting (GB), k-nearest neighbour (kNN), and neural network (NN) algorithms. Fifteen input variables under demographic, environmental, geographical, time, and meta-features are utilised in the ML algorithms. The correlation coefficient (R2) values of RF, GB, NN, and kNN algorithms were computed for delivery time as 0.816, 0.845, 0.821, and 0.786, respectively. The GB algorithm, which has a high R2 and the slightest margin of error, exhibited the best prediction performance for delivery time and energy cost. Regarding delivery time, the GB algorithm’s MSE, RMSE, and MAE values were calculated as 149.32, 12.22, and 6.08, respectively. The R2 values of RF, GB, NN, and kNN algorithms were computed for energy cost as 0.917, 0.953, 0.400, and 0.365, respectively. The MSE, RMSE, and MAE values of the GB algorithm were calculated as 0.001, 0.019, and 0.009, respectively. The average energy cost to complete a package or mail delivery process with e-scooter vehicles is calculated as 0.125 TL, and the required time is approximately computed as 11.21 min. The scientific innovation of the study shows that e-scooter delivery vehicles are better for the environment, cost, and energy than traditional delivery vehicles. At the same time, using e-scooters as the preferred way to deliver packages or mail has shown how well the delivery service works. Because of this, the results of this study will help in the development of ways to make the use of e-scooters in delivery service even more efficient.

Abstract: Some novel triazole-bearing ketone and oxime derivatives were synthesized from Ibuprofen. In vitro cytotoxic activities of all synthesized molecules against five cancer lines (human breast cancer MCF-7, human lung cancer A549, human prostate cancer PC-3, human cervix cancer HeLa, and human chronic myelogenous leukemia K562 cell lines) were evaluated by MTT assay. In addition, mouse embryonic fibroblast cells (NIH/3T3) were also evaluated to determine the selectivity. Compounds 18, 36, and 45 were found to be the most cytotoxic, and their IC50 values were in the range of 17.46–68.76 µM, against the tested cancer cells. According to the results, compounds 7 and 13 demonstrated good anti-inflammatory activity against the microsomal enzyme prostaglandin E2 synthase-1 (mPGES-1) enzyme at IC50 values of 13.6 and 4.95 µM. The low cytotoxicity and non-mutagenity of these compounds were found interesting. Also, these compounds significantly prevented tube formation in angiogenesis studies. In conclusion, the anti-inflammatory and angiogenesis inhibitory activities of these compounds without toxicity suggested that they may be promising agents in anti-inflammatory treatment and they may be supportive agents for the cancer treatment. Graphical abstract: [Figure not available: see fulltext.].

In this study, two novel silicon phthalocyanines (SiPc) having axial anchoring groups (3: SiPc carrying bis-dibutyl phenoxy acrylic acid and 5: SiPc carrying bis-dibutyl phenoxy carboxylic acid) are synthesized as the photosensitizers of dye sensitized solar cells (DSSCs). The obtained novel photosensitizers are elucidated by using 1H NMR, MALDI-TOF, FT-IR, UV-Vis spectroscopy, and elemental analysis. Moreover, the electrochemistry of SiPcs is investigated with voltametric and in-situ spectroelectrochemical analysis. Both SiPcs illustrate similar two reductions and one oxidation Pc based redox processes. In-situ spectroelectrochemical results support the Pc based characters of the voltametric responses. The chromaticity diagrams and optical responses of the anionic and cationic moieties are recorded with the in-situ spectroelectrochemistry to determine the viability of them for various photoelectrochemical usage. Finally, SiPcs are investigated as dyes in DSSCs in order to investigate the influence of bis-dibutyl phenoxy acrylic acid and bis-dibutyl phenoxy carboxylic acid anchoring groups to the photovoltaic performance of SiPcs. DSSCs sensitized with SiPc (3) and SiPc (5) illustrate good photovoltaic performance with 1.48 and 1.99 mA/cm2 short circuit current density, 0.751 and 0.657 V open circuit potential, 0.52 and 0.57 fill factor, and 0.57% and 0.75% power conversion efficiency respectively.

Mulberry leaves are used traditional medicine in many diseases. The various biological activities of the plants are due to its chemical contents, therefore the phytochemical composition and biological potential of the plant vary according to the region where it grows. In this study, it was aimed to determine the antioxidant activity and antidiabetic potential using in vitro inhibition tests of leaves of white and black mulberry obtained from trees grown in Edirne. Total phenolic, flavonoid and tannin contents of leaves extracts were determined in the range of 35.08-47.57 µg gallic acid, 18.40-46.25 µg rutin and 4.59- 7.53 µg tannic acid equivalents, respectively. While ethanol extract of black mulberry leaves showed high activity in CUPRAC method (9.1 μmol TEAC), 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2΄-azinobis-(3-ethylbenzothiazoline-6-sulfonicacid) (ABTS) radicals scavenging assays (EC50 0.31 mg/mL and 0.79 mg/mL, respectively), the ethanol extract of white mulberry leaves showed better carotene bleaching activity (EC50 0.47 mg/mL). Only water extracts of leaves were observed to have metal chelating capacity. In the antidiabetic activity study, the water extracts of leaves showed varying degrees of inhibition on α-amylase and α-glucosidase. The potential inhibitory effect of water extracts on carbohydrate digestive enzymes shows that mulberry leaves can be considered as a source of a drug candidate in the antidiabetic drug researches. Also black mulberry leaves can be used in cosmetic applications due to their antioxidant properties., Dut yaprakları halk arasında çeşitli hastalıklarda geleneksel olarak kullanılan bir bitkidir. Bitkilerin gösterdikleri çok çeşitli biyolojik etkinlikleri içerdikleri bileşenlerden kaynaklanmakta olup, bitkinin fitokimyasal bileşimi ve biyolojik potansiyeli yetiştiği bölgeye göre değişiklik göstermektedir. Bu çalışmada Edirne ilinde yetişen beyaz ve siyah dut ağacı yapraklarından elde edilen su ve etanol ekstraktlarının antioksidan aktivitesinin ve in vitro enzim inhibisyon testleri ile antidiyabetik kapasitesinin belirlenmesi amaçlanmıştır. Beyaz ve siyah dut ağacı yaprak ekstraktlarının toplam fenolik madde miktarı 35.08-47.57 µg gallik asit eşdeğeri/mg, flavonoid miktarı 18.40-46.25 µg rutin eşdeğeri/mg ve tanen miktarı 4.59-7.53 µg tannik asit eşdeğeri/mg aralıklarında tayin edildi. Antioksidan aktivite testlerinde 1,1-difenil-2-pikrilhidrazil (DPPH) ve 2,2΄-azinobis-(3-etilbenzotiazolin-6-sülfonik asit) (ABTS) radikallerini gidermede (EC50 sırasıyla 0.31 mg/mL ve 0.79 mg/mL) ve CUPRAC metodunda (9.1 μmol troloks eşdeğeri antioksidan kapasite-TEAC) siyah dut yapraklarının etanol ekstraktı yüksek aktivite gösterirken, beta-karoten ağartma metodunda beyaz dut yapraklarının etanol ekstraktı (EC50 0.47 mg/mL) daha iyi sonuç verdi. Dut yapraklarının sadece su ekstraktlarının metal iyonlarını şelatlama gücüne sahip olduğu görüldü. Antidiyabetik aktivite çalışmasında yaprakların su ekstraktları değişen oranlarda α-amilaz ve α-glukozidaz inhibisyonu gösterdi. Su ekstraklarının karbonhidrat sindirim enzimleri üzerine potansiyel inhibitör etkisi göstermesi, ülkemizde besin olarak tüketilmeyen dut yapraklarının ilaç hammaddesi kaynağı olarak değerlendirilebileceğini; siyah dut yapraklarının ise antioksidan katkı amaçlı olarak kozmetik uygulamalarda kullanılmak üzere ekonomiye kazandırılabileceğini düşündürmektedir.

In this short review, we provide an account of a number of computational studies of catalytic reaction mechanisms carried out in our groups. We focus in particular on studies in which we came to realize during the course of the investigation that the active catalytic species was a bimetallic complex, rather a monometallic one as previously assumed. In some cases, this realization was in part prompted by experimental observations, but careful exploration based on computation of the speciation of the metal precursor also provided a powerful guide: it is often possible to predict that bimetallic species (intermediates or transition states) lie lower in free energy than a priori competitive monometallic species. In this sense, we argue that in organometallic catalysis, the rule whereby “two is better than one” turns out to be relevant much more often than one might expect.

Drug repurposing studies have played a crucial role in fighting the Covid-19 pandemic. Discovering a new drug molecule for disease takes a very long time. However, repurposing a drug molecule developed for another disease can accelerate new treatments for a disease. Thus, several drug repurposing studies were carried out targeting essential proteins for SARS-CoV-2. Nsp16-Nsp10 interaction was targeted in this work since this interaction is needed for SARS-CoV-2 to evade the human immune system. Therefore, docking calculations of approved 2126 drug molecules obtained from the Drugbank database were performed using the AutoDock Vina program. These docking calculations, drugs Ledipasvir Elbasvir, Venetoclax, Digitoxin, Irinotecan, Dexamethasone, Acetyldigitoxin, Dactinomycin, Lumacaftor, and Simeprevir, have the highest docking scores. Significant interactions for these drug molecules were presented. © 2021, Turkish Chemical Society. All rights reserved.

The ionic liquid of pyridine base [emPy]I was prepared. Then, a series of complex salts were designed from it with some transition metal chlorides Fe(III), Co(II), Ni(II) and Cu(II) as Lewis acids. The compounds were characterized by spectroscopic and physical methods such as nuclear magnetic resonance "1H-NMR", infrared spectroscopy "FT-IR", electronic spectrum "UV", mass spectroscopy "MS", elemental analysis "CHN", magnetic susceptibility, molar conductivity, and other methods. The thermal stability of these compounds was also verified within the temperature range of (25-1000 °C). [emPy]I and its complex salts were tested in the extractive desulfurization process EDS. The procedure treats them with the model fuel of sulfur content of 2000 ppm, prepared from dissolving dibenzothiophene DBT in n-hexane. The ratio of sulfur removal was estimated using the GC-FID technique. The optimal conditions for EDS process were studied, and the possibility of reusing the extractant more than once without regeneration.

The present study focuses on the effect of experimental parameters (pH, temperature, gel mass, metal concentration, contact time) on the performance of lead adsorption by polyacrylamide hydrogels. The results obtained showed that the retention of Pb2+ ions is closely linked to these parameters. The adsorbent gels equilibrate with the metal solution after 180 minutes, and the maximum adsorption capacity is 442.31 mg/g. In addition, the adsorption obeys the pseudo-second-order kinetics and Langmuir isotherm. Desorption of the micropollutant retained by the hydrogel was also studied using 0.1 M of HCl solution. The desorption was rapid, and the efficiency exceeded 90% after a contact time of 90 minutes.

The first synthesis of 2,4-bis(3,4-dimethoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfide (SAV-A1 reagent) was achieved. Seven oxo-alkyl esters (HLn) were synthesized thereof. Ni(II) complexes ([Ni(Ln)(2)]) of these ligands were prepared in ethanol. The structures were identified by spectral studies. Ni(II) complexes were unambiguously determined by X-ray crystallography. In addition, the ligands and their Ni(II) complexes were tested on two different human cancer cell lines, including liver and colon. Moreover, density functional theory (DFT) calculations of the Ni(II) complexes were performed, and the molecular docking studies of these compounds with liver cancer protein, PDB ID: 3WZE and colon cancer antigen proteins, ID 2HQ6 were presented to investigate and predict potential interactions.

Plastic pollution, more specifically from food packaging and containers which account for the largest share of 36% of current plastic production, is one of the greatest threats to the natural environment and human health. Thus, the development of alternative renewable plastics are needed to complement a circular economy and reduce resource depletion. Seaweeds have been known to possess good film forming properties ideal for bioplastic production, and Sargassum natans-an invasive brown seaweed which has been inundating the shores of the Caribbean, has been shown to be an excellent candidate. This study presents, for the first time, the development of a novel optimized biodegradable alginate composite bioplastic as an alternative to traditional plastic packaging. The optimization process was carried out using Response Surface Methodology (RSM) resulting in a formulation of 6 wt% alginate, 0.263 wt% starch, 0.35 wt% CMC, 0.065 g/g sorbitol and 0.025 g/g PEG 200- with ultra-high oxygen barrier (OP - 0.2 cm3 μm m−2 d−1 kPa−1), good water vapor barrier (WVP - 2.18 × 10−12 g m/m2 s Pa) and high tensile modulus ( - 3.93 GPa)- with no migration of additives into a simulated aqueous food system in 10 days. Furthermore, composite films were found to fully degrade in 14 days and possessed better OP, higher WVP and comparable material properties to HDPE, PET and PLA. Ultimately, our results support alginate composite films as a viable alternative for food packaging best fitted for low moisture environments-encouraging the use of renewable materials for packaging innovation and supporting UNSDGs.

Bacterial cellulose (BC) is one of the current natural materials at the edge of innovation in engineered living materials (ELMs) research due to its ease of growth and outstanding properties as a hydrogel. One of the main limitations of this material, however, is its quick dehydration in open environments as water molecules leave the porous network. Here we show that other solvents with higher evaporation temperatures, namely glycerol and polyethylene glycol (PEG), can play the same role as water within the BC structure interacting with cellulose fibres via hydrogen bonds. We demonstrate that these molecules provide up to a 130-fold improvement in the Young´s Modulus of BC hydrogels to compression forces in a concentration dependent manner. To take advantage of these effects for application in BC-based ELMs produced by Komagataeibacter rhaeticus, we also explored the effect of glycerol and PEG400 on the survival of the BC-producing bacteria in BC pieces. PEG400 at 20% doubled the material resilience to compression forces, still allowing bacteria to survive within the material for weeks. These results open further opportunities to explore new applications and stacked storage conditions.

'''Preparation of fine ammonium perchlorate (AP) particles and thermal behaviour of it are known as the most important challenges in the crystallization and propellant sciences. We introduced an effective method of fine AP preparation named high rate cooling crystallization (HRC). This work presents application of Taguchi approach for optimizing the HRC method. In this study a set of experiments was designed according to the Taguchi L9 array. Experimental design was originated from four effective parameters containing; temperature, pressure, solvent type (water and ethanol) and anticaking agentsodium dodecyl sulfate (SDS). After preparation of fine AP particles average particle size (APS) was measured using laser mass spectrometry (LMS-30). APS, contribution, and the analysis of variance (ANOVA) were used to investigate performance factors affecting the operation condition. According to the data obtained, anti-caking agent and solvent type were represented the main effect on the preparation of micronized AP by using HRC method. Furthermore, the optimum condition in preparation of fine AP particles by using HRC method was ethanol solvent, 10atm pressure, 0.4 % SDS, and 60˚C temperature. Thermal behaviour of the optimized particles was investigated using TG/DSC analysis. Finety of the particles positively shifted the low temperature decomposition (LTD) region of fine optimized sample in comparison with coarse pure AP. Crystallinity of sample was confirmed by SEM and XRD analysis.

Güneş ışığının etkisini azaltan özel boyalarda kullanılan serin pigmentler genellikle perilenler yardımıyla üretilir. Beyaz boyalar güneş ışığını geniş bir yelpazede yansıtırken, siyah ve diğer koyu renkler geniş bir spektrumu absorbe ettikleri için uygulandıkları malzemelerin ısınmasına etki ederler. “Serin pigmentler” (boyalar) olarak adlandırılan moleküller, koyu renkli olmalarına rağmen güneş ışınlarının NIR bölgesinde çok düşük absorpsiyon göstermeleri nedeniyle ilgi görmektedir. Bu çalışmada, 12 farklı perilen bazlı pigment kuantum hesaplamaları ile analiz edilmiş, yansımaları ve özellikleri arasındaki korelasyonlar incelenmiştir. Hesaplamalarda Hartree-Fock hesaplama yöntemi ve 3-21G temel seti kullanılarak Gaussian 9 Revision D.01 de yapılmıştır. Yardımcı ara yüzey yazılımı olarak Gaussview 5.0.8 kullanılmıştır. Sentezlenen perilenlerin karakterizasyonu Ft-IR, NMR, XRD ile yapılmış ve daha önceki çalışmalarda yayınlanmıştır. Simülasyondan elde edilen entalpi, HOMO.LUMO aralığı, simetri ve dipol momentleri karşılaştırılmış ve sonuç olarak NIR yansımasının pigmentlerin dipol momentleri ile ilişkili olduğu tespit edilmiştir., Cool pigments used in special paints that reduce the effect of sunlight are generally produced with the help of perylenes. While white paints reflect a wide range of sunlight, black and other dark colors absorb a wide spectrum, so they have an effect on the heating of the materials they are applied to. Molecules called “cool pigments” (dyes) are of interest because they exhibit very low absorption in the NIR region of the sun's rays, although they are dark in color. In this study, 12 different perylene-based pigments were analyzed with quantum calculations and the correlations of their reflections and properties were examined. Hartree-Fock method and 3-21G basis set were applied in the calculations and Gaussian 9 Revision D.01 and Gaussview 5.0.8 were used as interface. The characterization of the synthesized perylenes has been done with Ft-IR, NMR, XRD and has been published in previous studies. The enthalpy, HOMO.LUMO gap, symmetry and dipole moments obtained from the simulation were compared and as a result it was determined that the NIR reflection was related to the dipole moments of the pigments.

The detection qualitative of Phytochemical compounds of extracts was carried out using color reagents, total content of phenols and flavonoids was specified using folin– ciocalteu and aluminium chloride method, respectively, and antioxidant activity was determined through its ability to free radicals scavenging using DPPH radical. The efficacy of the plant extracts against pathogenic bacteria was studied by agar well diffusion method with different concentrations, and microdilution method was used to measure minimum inhibitory concentration (MIC) of all plant extracts. The results showed presence of tannins, phenols, and flavonoids in all extracts of both plants, while saponins were found in aqueous extracts only, cardiac glycosides and coumarins were absent in all plant extracts. Ethanolic extract of Pistacia atlantica recorded the highest content of phenols and flavonoids as 263.76 ± 0.53 (mg GAE/g Dw) and 46.83 ± 0.55 (mg RE/g Dw), respectively. While aqueous extract of Pinus canariensis recorded the lowest content of of phenols and flavonoids 30.11 ± 0.37 (mg GAE/g Dw) and 5.43 ± 0.38 (mg RE/g Dw), respectively. Both plants have been shown to have good antioxidant activity, as ethanolic extract of P. atlantica recorded the best ability to free radicals scavenging 90.27% ±1.51, ethanolic extracts of both plants were the most effective in inhibiting bacteria especially at high concentrations (500 mg/mL); the inhibition zone diameter of P. atlantica extract was reached against Shigella boydii 33.56 mm, while aqueous extract of P. canariensis was the most effective against Pseudomonas aeruginosa; the inhibition zone diameter was 21 mm. MIC ranged between 5.468 and 43.75 mg/mL depending on plant extract and bacterial species. This confirms the importance of plant extracts as a natural source of antibacterial to confront problems of increasing bacterial resistance to antibiotics that threaten public health.

The condition for obtaining the Tl3AsS4 compound was investigated based on TlNO3 and As2S5 compounds in hydrothermal conditions in the aquatic environment. It was found that Tl3AsS4 compound has been obtained from a mixture of the primary components (As2S5 and TlNO3) in a ratio of 4:15 mol at 80 °C in the range of pH = 7 – 8. The individuality of the obtained Tl3AsS4 compound was confirmed by the XRD method and DTA, and TG analyses. The thermally processed Tl3AsS4 compound crystallizes in an orthorhombic structure at 220 °C. Based on the results of TG analysis, the temperatures of the phase transitions that occur during the oxidation of the compound were determined and the stoichiometric composition of the compound was specified. The SEM results of the compound showed that the Tl3AsS4 precipitate obtained from the solution at 80 °C is composed of aggregates of highly adherent nanoparticles and the size of the nanoparticles varies from ~60 to 120 nm. The effect of pH of the medium and the amount of the primary components on the yield of Tl3AsS4 was studied. It was determined that when T > 100 °C, (Tl2S)x(As2S3)1-x (x=0.1-0.9) – containing sediments are obtained from different molar ratios of the primary components (As2S5 and TlNO3).