The first accelerator mass spectrometry (AMS) laboratory in the Czech Republic has been established and put into routine operation in February 2022. Here we briefly describe the facilities available, namely a 300 kV multi-isotope low-energy AMS system (MILEA) capable of determination Be, C, Al, Ca, I, isotopes of U, especially U, Pu and other actinoids, and accessories for C measurements, which include a gas interface system, a preparative gas chromatography system for compound-specific radiocarbon dating analysis, and an isotope-ratio mass spectrometer. The first results achieved for separation and measurement of the above radionuclides (except for Ca) are also reported, with the main focus on C measurements. A specimen breakdown of 729 graphitised samples analysed for C so far is presented, as well as a proof of measurement stability of the MILEA system obtained by analysis of radiocarbon standards and analytical blanks. For the other radionuclides, well proven or novel procedures for sample preparation and measurement are presented.

Herein, interactions between cetylpyridinium chloride (CPC) and ceftriaxone sodium (CTS) were investigated applying conductivity technique. Impacts of the nature of additives (e.g. electrolytes or hydrotrope (HDT)), change of temperatures (from 298.15 to 323.15 ), and concentration variation of CTS/additives were assessed on the micellization of CPC + CTS mixture. The conductometric analysis of critical micelle concentration (CMC) with respect to the concentration reveals that the CMC values were increased with the increase in CTS concentration. In terms of using different mediums, CMC did not differ much with the increase in electrolyte salt (NaCl, NaSO) concentration, but increased significantly with the rise of HDT (NaBenz) amount. In the presence of electrolyte, CMC showed a gentle increment with temperature, while the HDT showed the opposite trend. Obtained result was further correlated with conventional thermodynamic relationship, where standard Gibb's free energy change , change of enthalpy , and change of entropy ) were utilized to investigate. The values were negative for all the mixed systems studied indicating that the micellization process was spontaneous. Finally, the stability of micellization was studied by estimating the intrinsic enthalpy gain () and compensation temperature (). Here, CPC + CTS mixed system showed more stability in NaSO medium than the NaCl, while in NaBenz exhibited the lowest stability.

A method for the synthesis of rafoxanide , a halogenated salicylanilide used as an efficient anthelmintic in sheep and cattle, is presented. Rafoxanide was synthesized in only three steps from readily available 4-chlorophenol with 74% overall yield. The synthesis has two key stages: the first was salicylic acid iodination, adding iodine in the presence of hydrogen peroxide, which allowed obtaining a 95% yield. The second key stage was the reaction of 3,5-diiodosalicylic acid with aminoether , where salicylic acid chloride was formed in situ with PCl achieving 82% yield. Chemical characterization of both intermediates and final product was achieved through physical and spectroscopic (IR, NMR and MS) techniques.

Many distinct amino acid and aromatic amine-derived transition metal complexes are used as physiologically active compounds. A few Cobalt (II) complexes have been synthesized by reacting cobalt (II) chloride with 1, 8-diaminonapthalene-based tetraamide macrocyclic ligands in an ethanolic media. These synthesized ligands (TAML) and associated Co(II) complexes were fully characterized with various spectroscopic techniques, such as IR, NMR, CHN analysis, EPR, molar conductance, and magnetic susceptibility measurements, TGA, UV-visible spectra, powder X-ray diffraction and DFT analysis. The IR spectra reveal interactions between the core metal atom and ligands through N of 1, 8-diaminonapthalene. The distorted octahedral geometry of synthesized Co(II) macrocyclic complexes were confirmed by ESR, UV-Vis and DFT studies. The synthesized ligands (TAML-TAML) and their Co(II) complexes were tested for antimicrobial activity against and in addition to bacteria like and Gram-negative bacteria like The ligand TAML and complex [Co(TAML)Cl] showed an excellent antibacterial activity. The minimum inhibitory concentration of TAML and [Co(TAML)Cl] against were found to be 7 mm and 10 mm zone of inhibition at 500 ppm, respectively, compared to drug ampicillin (3 mm). Additionally, each molecule exhibited notable antioxidant activity. The biological significance of the synthesized compounds was then evaluated by molecular docking experiments with the active site of the receptor protein such as . The molecular docking assisted data strongly correlated to the experimental approach of antimicrobial activity.

During the last twenty years, organic fluorination chemistry established itself as an important tool to get a biologically active compound. This belief can be supported by the fact that every year, we are getting fluorinated drugs in the market in extremely significant numbers. Last year, also ten fluorinated drugs have been approved by FDA and during the COVID-19 pandemic, fluorinated drugs played a very crucial role to control the disease and saved many lives. In this review, we surveyed all ten fluorinated drugs approved by FDA in 2021 and all fluorinated drugs which were directly-indirectly used during the COVID-19 period, and emphasis has been given particularly to their synthesis, medicinal chemistry, and development process. Out of ten approved drugs, one drug pylarify, a radioactive diagnostic agent for cancer was approved for use in positron emission tomography imaging. Also, very briefly outlined the significance of fluorinated drugs through their physical, and chemical properties and their effect on drug development.

The outbreak of COVID-19 has caused great havoc and affected many parts of the world. It has imposed a great challenge to the medical and health fraternity with its ability to continue mutating and increasing the transmission rate. Some challenges include the availability of current knowledge of active drugs against the virus, mode of delivery of the medicaments, its diagnosis, which are relatively limited and do not suffice for further prognosis. One recently developed drug delivery system called nanoparticles is currently being utilized in combating COVID-19. This article highlights the existing methods for diagnosis of COVID-19 such as computed tomography scan, reverse transcription-polymerase chain reaction, nucleic acid sequencing, immunoassay, point-of-care test, detection from breath, nanotechnology-based bio-sensors, viral antigen detection, microfluidic device, magnetic nanosensor, magnetic resonance platform and internet-of-things biosensors. The latest detection strategy based on nanotechnology, biosensor, is said to produce satisfactory results in recognizing SARS-CoV-2 virus. It also highlights the successes in the research and development of COVID-19 treatments and vaccines that are already in use. In addition, there are a number of nanovaccines and nanomedicines currently in clinical trials that have the potential to target COVID-19.

Vegetables are industrial crops endowed with both nutritional and medicinal values. The overwhelming contributions of vegetables to human living in the form of nutrients and medicine cannot be under emphasised. Thus, this study examined the recoveries of phenolic compounds and antioxidants from leaves using a microwave-enhanced extraction technique. Furthermore, the phenolic compounds in the leaf extract of were comprehensively identified using liquid chromatography-mass spectrometry quadrupole of flight (LC-QToF-MS). At the optimized conditions of microwave-enhanced extraction (extraction time of 131 s, microwave power 305 W, solvent/sample ratio of 12 mL/g, and ethanol concentration of 50%), total phenolic content (TPC) of 343.098 ± 3.05 mg GAE/10 g d.b., IC values of 68.89 ± 1.08 and 29.76 ± 1.00 µg/mL for 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2'-azino-bis(3-ethylbenzothiazoline-6'-sulfonic acid) (ABTS) assays, respectively, were achieved. Furthermore, an aggregate of fourteen phenolic compounds that include 1-galloyl-glucose, 1,3,5-O-tricaffeoylquinic acid, procyanidin C-1, 4,4',5,6-tetrahydroxystilbene, 3,4,5-O-tricaffeoylquinic acid, 5-desgalloylstachyurin, sanguiin H-4, corilagin_1, 1-O-galloylpedunculagin, laevigatin A, pedunculagin, 2,4,6-tri-O-galloyl--D-glucose, 1,3,6-trigalloyl--D-glucose, and 1,2,3,6-tetra-O-galloyl--D-glucose was tentatively identified in the leaf extract of . In general, this study has established leaves as sources of phenolic compounds and natural antioxidants. Thus, the intake can continue to be promoted as a way forward in solving the problem of food insecurity.

In this study, we report elaboration of a thin film of CoO on a low carbon unalloyed steel substrate by electrochemical route and the study of its electrocatalytic performances with respect to the evolution reaction of oxygen (OER) in NaOH medium. The elaborated deposits were well-characterized using X-ray diffraction. Kinetic and thermodynamic parameters such as exchange current density, Tafel slope, reaction order with respect to OH- ions and apparent activation energy were studied. The CoO displays satisfactory OER performance in an alkaline medium, with a low overvoltage of 362 mV at 10 mA/cm and a Tafel slope of 81 mV/dec at 293 K. The apparent kinetic activation energy (= 29.79 kJ/mol) was similar to those obtained for the reported catalytic electrode materials. The O gas obtained on the cobalt oxide electrode was 2.865 mmol/s.cm, which is 28 times higher than that obtained for the platinum electrode (0.102 mmol/s.cm). Chronoamperometry demonstrates a better electrochemical stability under a polarization potential of 2 V in 1 M NaOH for nearly 25 h. The low cost, the high OER performance, as well as the good stability of the CoOx electrode make it a promising candidate for the industrial-scale water electrolysis.

The present study is aimed to assess the adsorptive potential of carbonaceous material for the acyclovir (ACVR) removal from the aquatic environment using batch and fixed-bed processes. In batch mode, the impact of various process conditions (contact time, pH, adsorbent dose, initial ACVR concentration, and temperature) on ACVR adsorption was investigated. Experimental results revealed that Langmuir isotherm and the pseudo-second-order kinetic model adequately represent the ACVR adsorption mechanism, indicating homogeneous adsorption. The process was found exothermic and spontaneous. Thermodynamic studies concluded that adsorption is a result of both physisorption and chemisorption. To understand the dynamic regime for the design of large-scale column studies, experimental data obtained from breakthrough curve were fitted to various analytical kinetic models. Yan model followed by Thomas model demonstrated a greater correlation of breakthrough data, confirming that the results are significant and are in line with Langmuir isotherm and pseudo-second-order kinetic. G-AC exhibits sufficient adsorption capacity for ACVR. Hence, it is concluded that it can be used in a fixed-bed column in continuous mode for the treatment of ACVR-contaminated wastewater.

This work describes the synthesis and characterization of a polymeric film of 3,5-diamino 1,2,4-triazole on a pencil graphite electrode for the selective sensing of pyridoxine (PY). The PGE was modified using the electropolymerization process by the potentiodynamic method. The polymerized electrode (PDAT/PGE) was characterized by IR, SEM, AFM, cyclic voltammetry, and electrochemical impedance spectroscopy. PY undergoes irreversible oxidation at 0.79 V on PDAT/PGE in phosphate buffer of pH 5. Using the differential pulse voltammetric technique (DPV), PY showed a linear range from 5 to 950 μM with a lower detection limit of 2.96 μM. The PDAT/PGE was applied for the analytical determination of PY in pharmaceutical tablets with good recovery.

[This corrects the article DOI: 10.1007/s11696-022-02528-y.].

The current viral pandemic, coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), creates health, mental, economic, and other serious challenges that are better to say global crisis. Despite the existence of successful vaccines, the possible mutations which can lead to the born of novel and possibly more dangerous variants of the virus as well as the absence of definitive treatment for this potentially fatal multiple-organ infection in critically ill patients make us keep searching. Theoretically targeting human and viral receptors and enzymes via molecular docking and dynamics simulations can be considered a wise, rational, and efficient way to develop therapeutic agents against COVID-19. In this way, The RNA-dependent RNA polymerase (RdRP), main protease, and spike glycoprotein of SARS-CoV-2 as well as the human angiotensin-converting enzyme 2 receptor and transmembrane serine protease 2 are the most discussed and studied targets that play essential roles in the viral life and infection cycle. In the current in silico investigation, the guanidine functionality containing drugs and medicinal substances such as metformin, famotidine, neuraminidase inhibitors, antimalarial medications, anticancer drug imatinib, CGP compounds, and human serine protease inhibitor camostat were studied against the above-mentioned therapeutic targets and most of them (especially imatinib) have revealed an incredible spectrum of free docking scores and MD results. The current in silico investigation that its novel perspective of view is corroborated by the different experimental and clinical evaluations, confirms that the guanidine moiety can be considered as a missing promising pharmacophore in drug design and development approaches against SARS-CoV-2. Considering the chemical potency of this polyamine group in chemical interaction creation, the observed outcomes in this virtual screening were not surprising. On the other hand, the guanidine functional group has unique physico-chemical properties such as basicity that can make the target cells intracellular pH undesirable for the virus entry, uncoating, and cytosolic lifecycle. According to the obtained results in the current study that are interestingly confirmed by the previously reported efficacy of some the guanidine carrying drugs in COVID-19, guanidine as a potential multi-target anti-SARS-CoV-2 functional scaffold deserves further comprehensive investigations.

Favipiravir is a wide-spectrum antiviral generic drug that has received large attention during the recent COVID-19 pandemic. While there are synthetic strategies for favipiravir synthesis, economical procedures could contribute to industrial scale synthesis and availability. Accordingly, our efforts focused on an economic and scalable procedure for favipiravir synthesis via the 3,6-dichloropyrazine-2-carbonitrile intermediate obtained from 3-aminopyrazine-2-carboxylic acid. The process afforded favipiravir with 43% yield (from 3,6-dichloropyrazine-2-carbonitrile, by fluorination, hydroxylation, and nitrile hydrolysis reactions) and greater than 99% purity without a chromatographic purification step.

An eco-friendly approach to inhibit the corrosion of boiler quality (BQ) steel by onion waste in acidic media was investigated. The extract from onion peel was characterized using the conventional extraction method and was characterized using HPLC. The efficacy of the onion peel extract (OPE) as a green corrosion inhibitor was studied using the weight loss method and a variety of electrochemical techniques, including open-circuit potential (OCP), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS). The Tafel polarization revealed that at 200 mg L of onion peel extract (OPE), corrosion current density was reduced maximum in both 1 (M) HCl and 0.5 (M) HSO media. From the electrochemical impedance spectroscopy studies, the maximum inhibition efficiencies of 91.30% and 90.71% were found at 200 mg L in 1 (M) HCl and 0.5 (M) HSO, respectively. The Langmuir isotherm was determined to be the best-fitting model, and the thermodynamic parameter, such as free energy , was computed, which indicated the physisorption of OPE onto the BQ surface. In theoretical investigations, density functional theory DFT was used to determine the adsorption efficiency and reactive sites of the OPE molecule by exploring various quantum chemical parameters.

The evaluation of the bioavailability of topically applied medications that act inside or under the skin is a challenging task. Herein, the current study describes a simple, quick, and low-cost electrochemical platform for determining butenafine hydrochloride (BTH) that is mainly prescribed as a treatment of dermatophytosis, applying titanium nanoparticles and an ionic liquid as outstanding mediators. In terms of low detection limits (61.63 nM) and extensive range of 2.21 × 10-13.46 × 10 M, the established electrochemical technique provided worthy analytical performance for butenafine hydrochloride sensing. The suggested sensor's practical applicability was effectively demonstrated in pharmaceutical preparations, actual stratum corneum samples, and simultaneous detection of butenafine hydrochloride and Itraconazole in pharmaceutical preparation for the first time. All of the experimental factors, like the pH and scan rate, have been investigated and optimized. Diffusion coefficients of butenafine hydrochloride at bare and modified sensors were calculated.

In this study an efficient and environment friendly electrochemical sensor has been designed for the analysis of acetaminophen (APAP) drug. Electrochemical impedance spectroscopy, differential pulse voltammetry and cyclic voltammetric techniques were used to demonstrate the fabricated erGO/GCE sensor performance. Voltammetric assessment of acetaminophen drug was done using bare GC electrode, drop-casted GO/GC electrode and erGO/GCE electrochemical sensor. Proposed sensor was precisely validated for APAP detection by differential pulse voltammetric technique. Subsequently LOD, LOQ, sensitivity and linearity were determined and found to be 7.23 nM, 21.909 nM, 20.14 μA nM cm and 0.0219-2.30 μM, respectively. The diffusion coefficient of APAP was determined by chronoamperometry, and it was found to be 2.24 × 10 cm.s. The synthetic and analytical steps were assessed as per the Green Chemistry's 12 Principles giving a 66 score (acceptable) and 93 score (excellent) for the said steps, respectively.

The green synthesis of metallic nanoparticles has tremendous impacts in various fields as found in recent years due to their low cost, easy and environmentally friendly synthesis. In this article, we report a simple and eco-friendly method for the synthesis of silver nanoparticles (AgNPs) using an aqueous () leaf extract as a bioreductant. Interestingly, Fourier transform infrared (FTIR) spectroscopy analysis established that the extract not only served as a bioreductant but also acted as a capping agent to stabilize the nanoparticles by functionalizing the surfaces. Various characterization techniques were adopted, such as X-ray powder diffraction (XRD), FTIR, ultraviolet-visible absorption (UV-Vis) spectroscopy, dynamic light scattering, scanning electron microscopy and energy-dispersive X-ray spectroscopy (EDX) to analyze the biosynthesized AgNPs. Biosynthesized nanoparticles were also explored for antioxidant, antibacterial and photocatalytic activities. The AgNPs showed improved free radical scavenging activity (IC 48.96 ± 0.84 µg/mL) and bacterial inhibitory effects against both gram-positive (; 64.5 µg/mL) and gram-negative (; 82.5 µg/mL) bacteria. Photocatalytic investigation showed AgNPs were effective at degrading rhodamine dye (78.69% in 90 min) when exposed to sunlight. These findings collectively suggest that AgNPs were successfully prepared without the involvement of any hazardous chemical and it may be an effective antibacterial, antioxidant and promising agent for the removal of hazardous dye from waste water produced by industrial dyeing processes.

Resistance to antibiotic drugs has directed global health security to a life-threatening situation due to mycobacterial infections. In search of a new potent antimycobacterial, a series of (±) 2-(6-substituted quinolin-4-yl)-1-alkoxypropan-2-ol () have been synthesized. The structures of the newly synthesized derivatives were characterized by spectrometric analysis. Derivatives were evaluated for antitubercular activity against H37Rv (ATCC 25177), antibacterial activity against (NCIM2388), (NCIM 2065), (NCIM2063) (NCIM 2178) and antifungal activity against (NCIM 3100), (ATCC 504). Thirteen 2-(6-substituted quinolin-4-yl)-1-alkoxypropan-2-ol ( derivatives reported moderate to good antitubercular activity against H37Rv with MIC 9.2-106.4 μM. Compounds and showed comparable activity with respect to the standard drug pyrazinamide. The active compounds screened for cytotoxicity activity against L929 mouse fibroblast cells showed no significant cytotoxic activity. Compounds , , , , , and displayed good activity against . Compounds and showed good activity against and , respectively. The potential antimycobacterial activities imposed that the 2-(6-substituted quinolin-4-yl)-1-alkoxypropan-2-ol derivatives could lead to compounds that could treat tuberculosis.

Nucleoprotein is a conserved structural protein of SARS-CoV-2, which is involved in several functions, including replication, packaging, and transcription. In this research, 21 antiviral peptides that are known to have inhibitory function against nucleoprotein in several other viruses, were screened computationally against the nucleoprotein of SARS-CoV-2. The complexes of five best performing peptides (AVP1142, AVP1145, AVP1148, AVP1150, AVP1155) with nucleoprotein were selected for subsequent screening via 5 ns molecular dynamics (MD) simulation. Two peptides, namely AVP1145 and AVP1155, came out as promising candidates and hence were selected for 200 ns MD simulation for further validation, incorporating a DMPC-based membrane environment. In the long MD simulation, both AVP1155 and AVP1145 utilized multiple residues-mainly aromatic, acidic, and nonpolar residues-as interacting points to remain in contact with the nucleoprotein and formed predominantly hydrogen bonds along with hydrophobic and electrostatic interactions. However, AVP1155 proved to be superior to AVP1145 when its complex with nucleoprotein was analyzed in terms of root-mean-square deviation, root-mean-square fluctuation, radius of gyration, solvent accessible surface area and free energy landscape. In a nutshell, the findings of this research may guide future studies in the development of selective peptide inhibitors of SARS-CoV-2 nucleoprotein.

Wastewaters often contain toxic organic pollutants with a possible adverse effect on human health and aquatic life upon exposure. Persistent organic pollutants such as dyes and pesticides, pharmaceuticals, and other chemicals are gaining extensive attention. Water treatment utilizing photocatalysis has recently received a lot of interest. Photocatalysis is cutting-edge, alternative technology. It has various advantages, including functioning at normal temperatures and atmospheric pressure, cheap prices, no secondary waste creation, and being readily available and easily accessible. This review presented a comprehensive overview of the advances in the application of the photocatalytic process in the treatment of highly polluted industrial wastewater. The analysis of various literature revealed that TiO-based photocatalysts are highly effective in degrading organic pollutants from wastewater compared to other forms of wastewater treatment technologies. The electrical structure of a semiconductor plays a vital role in the photocatalyst's mechanism. The morphology of a photocatalyst is determined by the synthesis method, chemical content, and technical characteristics. The scaled-up of the photoreactors will significantly help in curbing the effect of organic pollutants in wastewater.

Chemical prototypes with broad-spectrum antiviral activity are important toward developing new therapies that can act on both existing and emerging viruses. Binding of the SARS-CoV-2 spike protein to the host angiotensin-converting enzyme 2 (ACE2) receptor is required for cellular entry of SARS-CoV-2. Toward identifying new chemical leads that can disrupt this interaction, including in the presence of SARS-CoV-2 adaptive mutations found in variants like omicron that can circumvent vaccine, immune, and therapeutic antibody responses, we synthesized 5-chloro-3-(2-(2,4-dinitrophenyl)hydrazono)indolin-2-one (HL) from the condensation reaction of 5-chloroisatin and 2,4-dinitrophenylhydrazine in good yield. HL was characterised by elemental and spectral (IR, electronic, Mass) analyses. The NMR spectrum of HL indicated a keto-enol tautomerism, with the keto form being more abundant in solution. HL was found to selectively interfere with binding of the SARS-CoV-2 spike receptor-binding domain (RBD) to the host angiotensin-converting enzyme 2 receptor with a 50% inhibitory concentration (IC) of 0.26 μM, compared to an unrelated PD-1/PD-L1 ligand-receptor-binding pair with an IC of 2.06 μM in vitro (Selectivity index = 7.9). Molecular docking studies revealed that the synthesized ligand preferentially binds within the ACE2 receptor-binding site in a region distinct from where spike mutations in SARS-CoV-2 variants occur. Consistent with these models, HL was able to disrupt ACE2 interactions with the RBDs from beta, delta, lambda, and omicron variants with similar activities. These studies indicate that HL-derived compounds are potential inhibitors of multiple SARS-CoV-2 variants, including those capable of circumventing vaccine and immune responses.