Aniline Dyes Research Articles

On the Synthesis, Characterization and Applications of Para-nitro Aniline-based Reactive Dye

The dye was synthesized by nitration of aniline to para-nitro aniline, diazotization and coupling reactions. The melting point of the para-nitro aniline was taken to yield 147ºC. The result from the GC-MS shows that the compound with the highest relative abundance of 100% showed a molecular ion peak of 129.4 compounds which correspond to lower relative abundance. Also from the GC-MS result, the two peaks of masses 57.5 g and 83.4 g respectively correspond to fragments of the samples. Ultra-violet spectrophotometer was used to determine the absorption of the dye. The para-nitro aniline dye as synthesized showed the highest absorbance of 2.214 at 220 nanometers. The dye was applied to pure cotton and cellulose. The percentage shift of the dye toward the fabric i.e. percentage exhaustion of the dye was calculated to yield 73% which shows that the reactive dye has high exhaustion value. Fastness test was carried out on the dyed fabric to characterize the material’s color resistance to fading and running. These tests are heat, light and wash fastness which is rated 1-5 according to Ukponwam and Odilora (2000) where 1 shows poor fastness and 5 very good fastness. The wash, heat and light fastness of 4, 5 and 5 respectively shows that the dyed fabric has an excellent fastness to washing, heating and sun drying.

In vitro effect-based monitoring of water, sediment and soil from a floodplain restoration site in Central Europe

BackgroundFloodplains are biodiversity hotspots and provide numerous ecosystem services. In recent decades, however, 70–90% of Europe’s floodplains have been structurally degraded. Accordingly, many (inter-)national programs aim to restore and protect floodplain ecosystems. The success of such measures also depends on the chemical contamination, especially of floodplain soils and sediments, which serve as sinks and sources for a variety of pollutants. In this study, we assess the current ecotoxicological status of a floodplain restoration site along the Main River (Frankfurt am Main, Germany) and estimate its development potential with respect to the influence of a local industrial plant and potential legacy contaminations. We therefore use in vitro effect-based methods (EBMs) testing for baseline toxicity, mutagenicity, dioxin-like and estrogenic activities, coupled with chemical analysis.ResultsOf all water bodies analyzed, the overall toxicity was highest in two flood depressions. In the respective water phase, estrogenic activities exceeded the environmental quality standard and sediment samples were positive for all tested endpoints. Chemical analysis of these sediments revealed high concentrations of polycyclic aromatic hydrocarbons. Soil samples from frequently flooded areas showed the highest mutagenic potential for both frameshift and point mutations with and without metabolic activation. The industrial effluent showed baseline toxic, mutagenic, and dioxin-like activities, that were highly diluted in the Main River. In turn, most of the sediment samples downstream of the industrial discharge showed significantly elevated baseline toxic, estrogenic and dioxin-like activities as well as increased chemical contamination.ConclusionBased on the results of this study, we rate the overall ecotoxicological status of a recently established tributary and groundwater-fed ponds as good, and identified two flood depressions near the Main River as hot spots of contamination. We assume that the observed mutagenicity in the floodplain soils is related to legacy contaminations from former aniline and azo dye production. In terms of the development potential of the floodplain restoration site, we emphasize considering the remobilization of pollutants from these soils and suppose that, in the long term, pollution of the Main River and the local industrial plant may negatively impact sediment quality in its tributaries. With this study, we confirmed the utility of in vitro EBMs for identifying chemically and ecotoxicologically relevant sites.

Impact of drops of epoxy resin and hardener, silicone and turpentine oils onto balsa wood and polypropylene substrates

Electrowetting and wettability-driven spreading of liquids on porous and nonporous substrates was investigated using impact of drops of epoxy resin, epoxy hardener, and epoxy resin and hardener, as well as silicone and turpentine oils with oil-soluble aniline dyes onto balsa wood and polypropylene surfaces. The experimental results revealed that the electric field stretched drops of epoxy resin, epoxy hardener, and epoxy resin and hardener after impact on polypropylene substrate in the long-term. The spreading of drops of epoxy resin and turpentine oil with dyes after impact onto porous balsa wood under the action of a 10 kV applied voltage was relatively weak. In addition, the measured footprint areas corresponding to drops of epoxy resin, epoxy hardener, and epoxy resin and hardener demonstrated a significant increase in the wetted areas driven by the applied voltage of 10 kV on polypropylene substrate, whereas on balsa wood, the footprint is practically unaffected by the electric field. Furthermore, it was determined that surface wettability was the main mechanism of spreading of epoxy resin, as well as silicone and turpentine oils with aniline dyes on porous balsa without the electric field applied. On the other hand, insufficient concentration of ions and counterions in silicone oil was responsible for the absence of electrohydrodynamic effects after impact of such drops onto porous balsa substrate subjected to high potentials of 7 and 10 kV. Hence, wettability-driven spreading with imbibition on balsa wood was the only reason for an increase in the wetted area in the case of silicone oil.

Shades of violet: Study of the compositional variability of historical Methyl violet dyes

Bright violet-coloured aniline dyes were developed and produced from the late 19th century onwards. Primarily used for dyeing of textiles, they were also employed in inks for letters and drawings. The industrial production of these dyes comprised numerous companies in Germany, France and England and concurrent chemical synthesis methods rapidly evolved. ‘Methyl violet’, also known as ‘Violet de Paris’, is an example of an aniline dye that made a large impact in Europe and was widely used. This study aims to provide insight into the composition of historical ‘Methyl violet’ dyes to gain a better understanding of the formulation of past inks, their degradation and to support colour reconstruction of old drawings and manuscripts. Thirty-nine ‘Methyl violet’ reference samples, dating from the late 19th century until the 1930′s, originating from leading dye producers in Europe, were analysed. UHPLC-PDA-HRMS was applied for the identification of the dye compounds. It was revealed that a significant part (ca. 35%) contained not only methylated, but also benzylated pararosanilines. Although benzylated compounds are mentioned in historical sources as ‘Methyl violet’, ‘Violet the Paris’, and ‘Methyl violet 6B’, they have only once been reported in modern literature and are now elucidated in detail for the first time. The relative amount of highly substituted pararosaniline increases when benzylation is performed resulting in an overall “bluer” dye mixture. The benzylated Methyl violets were mostly found in ‘Methyl violet 6B’ samples, but not exclusively. This exploration of the composition of a large number of historical ‘Methyl violet’ samples highlights the complexity and compositional variety of early synthetic dyestuff productions and the importance of large-scale studies of historical references.

Sweet resistance against botrytis grey mould in chickpea

AbstractDespite significant nutritional value and vast expanse under chickpea cultivation, fungi‐borne diseases are the main limiting factors to increasing its yield. Botrytis grey mould (BGM) is a major foliar disease knocking chickpeas sideways. Thus, to compensate for economic yield loss, BGM‐resistant lines must be fished through an effective screening technique. In the present study, carbohydrates, mainly callose, were observed as vital actors in conferring varietal resistance. The study was done on disease reaction of BGM through microscopy for callose quantification in nine varieties and a susceptible check. The detection of noticeable callose deposits induced in leaf samples collected from artificially inoculated BGM sick plots was studied under a fluorescent microscope. Quantification of callose deposition was done using 1–5 rating scale where grades show intensity of callose accumulated. It was first report in chickpea to uncover the presence of callose in cellular regions by observing the blue fluorescence produced by aniline dye. Further characterization revealed varietal differences for callose deposits. Variations in endogenous sugar contents in the leaves during infection revealed the presence of complex dynamics of callose as a function of defence and resistance against infection. Based on this, PG 186, PG 5 and PG 6 showed significant amount of callose against the cell wall while H 208 scored minimum, thus in agreement with the use of this variety as a susceptible check.

КОАГУЛАЗО-ОТРИЦАТЕЛЬНЫЕ СТАФИЛОКОККИ КАК ЭТИОЛОГИЧЕСКИЙ ФАКТОР ГНОЙНО-СЕПТИЧЕСКИХ ИНФЕКЦИЙ В СТОМАТОЛОГИЧЕСКОМ СТАЦИОНАРЕ

In the etiological structure of purulent-septic infections, there is a tendency to increase the role of conditionally pathogenic bacteria, previously considered insignificant in human pathology. These include coagulase-negative staphylococci. An important condition for increasing the clinical significance of any microorganism is its ability to circulate in the nosocomial environment, forming hospital strains with increased resistance and virulence. Identification of circulating microbial strains requires the use of costly and labor-intensive molecular genetic methods. The purpose of the study is to show the role of coagulase-negative staphylococci as an etiological factor in purulent-septic infections in a dental hospital, as well as to assess their prevalence in the nosocomial environment. The article reflects the clinical structure of purulent-septic infections in a dental hospital for 3 years of work, the results of bacteriological studies of wound transudate and sanitary-microbiological studies of objects in the hospital environment. To identify circulating strains of coagulase-negative staphylococci, an original phenotypic epidemiological marker was used – the complex of indicators of the strains sensitivity to antiseptics, disinfectants and aniline dyes. The study showed that staphylococci were the reason of 30.8% of cases of purulent-septic infections of the maxillofacial region. Coagulase-negative species were more common than Staphylococcus aureus (S. aureus): 52.5% versus 47.5%. The leading species are S. epidermidis, S. saprophyticus and S. haemolyticus. In 47.1% of cases, their strains were methicillin-resistant. Incomplete sensitivity of cultures of coagulase-negative staphylococci to a chlorine-containing disinfectant was noted. A prolonged (up to 3 weeks) presence of strains of coagulase-negative staphylococci with identical characteristics was revealed in the nosocomial environment of a dental hospital. Thus, coagulase-negative staphylococci are among the leading pathogens of purulent-septic infections of the maxillofacial region. A number of isolates have features of hospital strains: multiple antimicrobial resistance and circulation in the nosocomial environment.

INVESTIGATION OF TOXICOLOGICAL PROPERTIES OF SOME AZO DYES BY OECD QSAR METHOD

In this study, the toxicological properties of some of the aromatic amine raw materials commonly used in textile dyes and the dyestuffs produced from these raw materials were examined with the OECD QSAR method and their toxicological effects on human health were investigated. In the literature review conducted with the relevant structures, it was seen that no study set was found in terms of toxicology, considering the comparison of raw materials and products. Studies have found that some aromatic amine raw materials and azo dyes produced from these raw materials are generally moderately irritating. While the related raw materials generally have eye irritant properties, the products do not have any irritating properties. It can be said that 12 aromatic amine raw materials and 13 azo dyes have skin sensitizing properties. The raw materials are 2,6-dibromo-4-nitro aniline, 6-methoxybenzothiazole-2-ylamine, 2-Bromo-4,6-dinotroaniline, and azo dyes, which are Disperse Brown 27-1, Disperse Brown 19 and Disperse Blue 291, are mutagenic.

Effect of dye on frequency and bias voltage-dependent electrical parameters of a nematic liquid crystal

The dielectric characteristics of pure and dye-doped (aniline blue dye) nematic liquid crystals at room temperature by altering the bias voltage and frequency have been reported in the present work. The HP-4194A impedance gain phase analyser was used to assist with the measurements of the dielectric properties. It has been discovered that the dielectric constant and dielectric loss both drop when dye is doped in liquid crystal. When bias voltage is increased, it has also been found that the dielectric anisotropy grows quickly up to 6.0 V bias voltage, after which its increase steadily.

Structure and Properties of Black Ceramic MAO Coatings on Aluminum Alloys

The existing processes for obtaining black wear-resistant coatings include chemical methods, anodic oxidation followed by painting in aniline dyes, electrochemical deposition, vacuum plasma treatment, microarc oxidation (MAO). Of great interest for the formation of light-absorbing coatings is the MAO method, which is characterized as a reliable and environmentally friendly process, which provides the formation of a hard ceramic-like oxide layer with high corrosion resistance аnd good adhesion to the substrate. Therefore, the development of methods for obtaining high-quality black MAO coatings with both high optical and mechanical characteristics is currently an urgent task. The paper presents the results of a study of the structure and properties of black ceramic coatings on aluminum alloy AMg2 obtained by microarc oxidation using silicate-alkaline and silicate-phosphate electrolytes containing potassium ferrocyanide and sodium tungstate as coloring components. Sodium tungsten acid and potassium ferrocyanide with a concentration of 0.5 to 2.0 g/l were added to the electrolytes as additional components that ensured the coloring of the coatings. It has been established that the most saturated black coatings in a silicate-alkaline electrolyte are formed with the addition of 1.5–2.0 g/l of sodium tungstate, and in a silicate-phosphate electrolyte with the addition of 1.5 g/l of potassium ferrocyanide. The use of an electrolyte containing sodium tungstate makes it possible to form coatings with a lower microroughness height (Ra 0.97–1.11 µm) compared to coatings obtained in an electrolyte containing potassium ferrocyanide (Ra up to 4.20 µm). The maximum wear resistance of the resulting coatings (wear rate (0.38–0.59) × 10–4 mm3/(m×N)) is achieved by treatment in the studied electrolytes with a duration of 10 min. In this case, the thickness of the coatings is 21–31 µm. A further increase in the duration of processing does not have a significant effect on the wear rate.

Reading the Colours of Victorian Interiors: The Poetic Home Revisited

The invention of mauveine, the first coal-tar based aniline dye in London in 1856 marked a chromatic turning-point in the history of industrial Europe. Up until the 1870s Britain was in the vanguard of this ‘colour revolution’. Mauve was soon followed by a whole gamut of new, low-priced dyes which radically transformed the experience of colour for all sections of society. As a consequence, the ‘evolution’ of the colour-sense received unprecedented attention, not only from the scientists who made colour production and colour perception their new object of study, but also from artists and writers like John Ruskin or William Morris who placed colour at the centre of the creative process. Surprisingly, this ‘colour revolution’ has only rarely been approached from the perspective of interior decoration despite the fact that from the 1860s an increasing number of periodicals and popular handbooks offered guidance on how to make one’s home ‘poetic’ thanks to the right colour arrangements. In this article I analyse a selection of these ‘colour grammars’ which aimed to channel and control the chromatic ‘chaos’ of modernity, before discussing a unique instance of a well-preserved and poetically colourful interior: the architect William Burges’s Tower House in London.

Back to Black: A fashionable colour from Worth to Chanel

While menswear remained mainly dominated by black throughout the 19th century, the new bright and glowing colours of aniline dyes influenced women’s fashion, relegating black to a background trend. This article addresses the rise of black as a womenswear trend, from the popularity of “imperial black silks” during Second Empire fashion, and the revival of black in eveningwear in fin-de-siècle culture, to Chanel’s modern little black dress (1926) interpreted as the ultimate reaction against the gaudy colours inherited from the 19th century chromatic revolution. This research thus explores black as a fashionable colour related to material, popular and visual cultures, and discusses the notion of “artificial black” that emerges more generally from 19th century visual culture.

Paint drop spreading on wood and its enhancement by an in-plane electric field

Experimental observations of drops of water with aniline dye softly located or impacting onto balsa wood substrates were used to elucidate the effect of an in-plane electric field (at a high voltage of 10 kV applied) on drop behavior. The top and side views were recorded simultaneously. The short-term recordings (on the scale of a few ms) demonstrated a slight effect of the applied in-plane electric field. In some trials, a greater number of finger-like structures were observed along the drop rim compared to the trials without voltage applied. These fingers developed during the advancing motion of the drop rim. The long-term recording (on the scale of ∼10 s) was used to evaluate the wettability-driven increase in the area-equivalent radius of the wetted area. These substrates had grooves in the inter-electrode or the cross-field directions. The groove directions affected the wettability-driven spreading and imbibition. The wettability-driven spreading in the long term was a much more significant effect than the effect of the electric field, because the imbibition significantly diminished the drop part above the porous surface, which diminished, in turn, the electric Maxwell stresses, which could stretch the drop. A simplified analytical model was developed to measure the moisture transport coefficient responsible for liquid imbibition in these experiments. Furthermore, the phase-field modeling of drops on balsa was used to illustrate how a change in the contact angle from hydrophobic to hydrophilic triggers drop imbibition into balsa wood.

YInMn blue - 200 Years in the making: New intense inorganic pigments based on chromophores in trigonal bipyramidal coordination

Materials with various colors have always fascinated humans from prehistory to the present. They bring joy to our daily life by making the world a more beautiful place to live in and influence our feelings. The important factor that decides the color of a material is its interaction with light in the visible range (400–700 nm) sensitive to human eye. Transition metal cations engender color because they have electronic transition energies that resonate with frequencies in the visible range. In general, transition metal chromophores with a coordination environment of less symmetry and more mixing between the p and d orbitals will have a greater probability of producing intense colors due to the relaxation of selection rules for the d-d transitions. This review chronicles the historical importance of inorganic pigments, reviews the origin of color in solids and highlights recent advancements in designing color pigments. Although fundamentals of the color science about gemstones and minerals are qualitatively well-understood, it is difficult to predict the color of inorganic solids before they are prepared experimentally. In spite of recent advancements in quantum mechanical theories and computational methods, predicting a crystal lattice that will produce an intense inorganic pigment of a desired color is still elusive. Serendipity often plays a role in the discovery of commercially important pigments and dyes such as Prussian Blue, Perkin's aniline dyes and recently YInMn Blue. We conclude that designing durable, nontoxic and multifunctional inorganic pigments with brilliant colors is quite challenging, and a deeper understanding of the structure-optical property relationship in this respect can be helpful.

Fabrication of 5-Nitrosalicylaldehyde with Aniline as Sensitizer for Dye Sensitized Solar Cells

Objectives: To create a DSSC circuit, combine 5-Nitro Salicylaldehyde with Aniline (5NSA). Methods: Working and counter electrodes are made of TiO2 and activated carbon film. Digital multimeters are used to test the conductive side of FTO glass prior to deposition. Graphite is used as the counter electrode. A functioning electrode was developed on conductive glass. FTO glass plate edges with Scotch tape (on the conductive side as determined by a multimeter). Distribute three drops of TiO2 blade-coated electrodes equally using a glass stirring stick. 5-nitrosalicylaldehyde and aniline dye are applied to the working electrode. I-/KI are electrolytes. An electrolyte is KI solution. I-V and P-V properties were examined in direct sunshine and a solar simulator. Findings: Using a digital multimeter and a solar simulator with glass plates, analyzed the efficiency of DSSC in Mayiladuthurai (L1), Nagapattinam (L2), and Vedaranyam (L3). The DSSC constructed with 5-Nitro salicylaldehyde and an aniline circuits obtained direct sunlight from a combination of 5NSA (L1-2.95 % ;L2-2.3 % ;L3-4.4 %) with an open circuit voltage (Voc) of (L1-26 mV;L2-38mV ;L3-39mV) and a short circuit current density (Isc) of (L1-80 mA;L2-60 (L1- 1.42 % ; L2- .1.01 % ; L3-1.9 % ). Different glasses determine the lowest and maximum light locations of the solar simulator. 5NSA discovered 5.8mV from frosted glass in lamp position 5 and a fill factor of 8% from plain glass in lamp position 5(0.92%). Novelty: 5NSA pigments with optimized agents exhibited improved photovoltaic properties, absorbed more sunlight, and utilized photon energy more effectively. Keywords: Aniline; Dye Sensitized Solar Cells (DSSC); 5Nitro Salicylaldehyde; Solar simulator; Titanium Dioxide (TiO2 )

Inhibition of Borrelia burgdorferi by 3,3-Diindolylmethane: A Research Protocol

Introduction: The spread of Borrelia burgdorferi is greatly exacerbated by the climate crisis. Rising global temperatures have increased the geographic range of B. burgdorferi-carrying ticks. 3,3-diindolylmethane (DIM) is a widely used estrogen supplement with a highly concentrated positive charge on one side, potentially inhibiting bacterial growth by attracting the negatively charged bacterial membranes, causing membrane tearing. DIM could allow for more comfortable treatment of Lyme Disease, as it displays no significant side effects when consumed up to 200 mg/L. Conversely, current antimicrobial protein-based drugs may induce side effects at their minimum inhibitory concentration. Methods: To determine whether DIM displays antimicrobial properties and could therefore be an inexpensive and ergonomic treatment, its effect on membrane-enclosed vesicles will be compared with polymyxin B, which is known to inhibit membrane structural integrity. This will be analyzed by filling vesicles with red aniline dye, then establishing three groups with different treatments. The test, positive control, and negative control groups will be treated with DIM, polymyxin B, and no treatment respectively. The resulting absorbencies of the test, positive control, and negative control groups will be compared. Results: The test group could show significant absorbance differences when compared to the positive and negative control groups, or no significant absorbance differences when compared to these groups. Positive and negative control groups should be compared with each other to ensure the groups display substantial and negligible dye release respectively. Discussion: If the test group shows a significant absorbance difference from the negative or both positive and negative control groups, it can be concluded that DIM displays significant antimicrobial properties. Because the results illustrate DIM is as effective or more effective than polymyxin B at inhibiting B. burgdorferi cell membranes, DIM will be an effective treatment for Lyme disease. These results are only reliable if the standard deviations of each group do not overlap, and the positive control group has a significantly higher absorbance than the negative control group. Conclusion: If the results suggest DIM displays strong enough antimicrobial properties to treat Lyme disease, its structure should be modified to improve integration into the bloodstream and gastrointestinal tract.

Surface Relief Grating on Chitosan-N,N-dimethyl-4-(2-pyridylazo)aniline Thin Film.

We deposited homogeneous, thin, yellow-colored films of chitosan (Chi)-N,N-dimethyl-4-(2-pyridylazo)aniline (PADA) dye from an acid Chi–PADA solution by spin-coating on glass substrates. We characterized Chi, PADA, and Chi–PADA films by ATR–FTIR spectroscopy, which revealed a slight shift of 3170 and 3268 cm−1 bands, indicating H-bonding between the chitosan hydroxyl (OH) group and the amine (N) of the PADA pyridine ring. Based on these analyses, it was possible to determine the efficiency of the hydrogen bonds to form a Surface Relief Grating (SRG) on azo-polymer thin film. Moreover, we performed UV–VIS spectroscopy analysis of this film, which showed a broad band extending from 400 to 700 nm, with the maximum occurring at 428 nm. Therefore, we selected, within the absorption band, the 532 nm green laser wavelength to irradiate the azo-polymer films at room temperature. For the first time, natural polymer derivative and dye sample Chi–PADA thin films showed unique photoresponsive behavior under irradiation with two interfering laser beams. This permitted us to generate surface inscription patterning known as an SRG, which we confirmed by atomic force microscopy (AFM) and for which we determined a grating depth up to 50 nm. The present study opens the new possibility of using natural polymer-dye thin films.

On the fight against wound infections of fresh wounds in wartime. A. Gusev (Military-sanitary affairs, 1933, No. 4)

A. Gusev (Military Sanitary Affairs, 1933, No. 4) examines methods of combating wound infections of fresh wounds on the basis of the experience of the world and civil wars, as well as from the experience of peacetime. The main idea of ​​the surgeon is to turn the infected wound into a clean, operational wound, which is achieved by excision of the wound on the first day. The question of primary excision of wounds is now generally accepted. This operation should mainly be carried out on the G. P. M. Conditions that prevent the use of this method differ externally, depending on the environment, internal, depending on the nature of the wound itself. For open treatment of wounds, thorough disinfection of the skin with tincture of iodine or tinted with fuchsin 5% alcohol-tannin according to Zabludovsky, or an aqueous solution of tannin, solutions of aniline dyes, etc. is necessary.

Immunohistochemical Analysis of p53, CD10 and Ki67 Expression as Prognostic Biomarkers in Urinary Bladder Carcinomas Correlating with Age, Histomorphology, Grade and Stage: An Institutional Study of One and Half Year.

Bladder carcinoma ranks tenth among all cancers worldwide predominantly affecting elderly males. Common risk factors being cigarette smoke and aniline dyes. Immunohistochemical markers play a pivotal role for its diagnosis and prognosis. To analyze the immunohistochemical expression of p53, CD10, Ki-67 in bladder cancers correlating with demographic features, pathological grade, and stage and to establish as prognostic biomarkers. Surgical samples of total of 70 cases of bladder tumor were collected, processed, stained in routine hematoxylin and eosin followed by immunohistochemistry of p53, CD10, and Ki67 markers performed on randomly selected 30 cases only. Out of 70 cases 69 cases (98.6%) were carcinomas; urothelial carcinoma being 71.4% (n = 50) with male: female ratio = 7.7:1 and mean age = 61.81 ± 12.83 years. Out of 30 cases, p53 was positive in 50% of cases, 30% - negative and 20% - equivocal. p53 positive expression pattern was more in high grade (HG) than low grade (LG). Significant difference was observed in the mean p53 scoring (%) and different stages (P = 0.043). CD10 expression was negative in 56.6%, (1+) in 16.6%, and (2+) in 26.6% of cases and significant difference in CD 10 expression was observed between the high and LG (P = 0.001). Ki-67 labeling index was appreciably higher in HG than the LG tumor (32.49% ± 24.35%; 6.86% ± 8.1%). Majority of Ki-67 expression was observed in stage pT2, followed by the pT1 stage. Cocktail of p53, CD10, and Ki67 is useful as potential prognostic markers in bladder cancers.

BMeS-p-A succinimidyl ester as a sulfonyl aniline dye labeling reagent

Here, we describe the synthesis and properties of BMeS-p-A-NHS as a sulfonylaniline-based fluorescent labeling reagent. Introduction of a carboxyl group into the amino group of the sulfonylaniline skeleton was achieved by the ring-opening reaction of β-propiolactone. This small labeling reagent was water-soluble, photostable, solid-state emissive, and suitable for excitation with a versatile 405-nm laser diode, emitting green fluorescence with a large Stokes shift at 527 nm. The succinimidyl ester reactive group facilitated conjugation with substrates containing amino groups.

Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteins

In this work, we report structural and computational studies of a series of naphthalene-based bis-N-salicylidene aniline dyes, namely N,N′-bis-salicylidene-1,5-diaminonaphthalene (1), N,N′-bis(3-hydroxysalicylidene)-1,5-diaminonaphthalene (2) and N,N′-bis(3-methoxysalicylidene)-1,5-diaminonaphthalene (3). For 3, two polymorphs are known, namely 3red and 3yellow. Both polymorphs of 3 were analyzed and discussed. All the molecules adopt an enol-imine tautomer, stabilized by two intramolecular O–HcdotsN hydrogen bonds. The structure of 2 is further stabilized by a couple of additional O–HcdotsO hydrogen bonds and by intermolecular O–HcdotsO interactions, yielding a 1D zig-zag supramolecular chain. Molecules of 2, 3red and 3yellow are interlinked through intermolecular C–Hcdotsπ interactions, while the crystal packing of 1 and 2 is also described by intermolecular πcdotsπ interactions. More than 90% of the total Hirshfeld surface area for all the discussed molecules is occupied by HcdotsH, HcdotsC, HcdotsO and CcdotsC contacts. The polymorphs 3red and 3yellow, despite being chemically the same, differ geometrically, thus yielding remarkably different Hirshfeld surfaces. The Hirshfeld surface of 3yellow is very similar to that of 2. All structures are mainly characterized by the dispersion energy framework followed by the less significant electrostatic energy framework contribution. Molecular docking studies were employed to inspect the effect of 1–3 on the SARS-CoV-2 protein targets. The docking analysis revealed that the dye 2 showed the best binding energies toward Papain-like protease (PLpro, –10.40 kcal/mol), nonstructural protein 14 (nsp14 (N7-MTase), –10.10 kcal/mol), RdRp-RTP (–9.70 kcal/mol) and nonstructural protein 3 (nsp3_range 207-379-MES, –9.30 kcal/mol). The obtained results can give an insight into chemical and biological activities of the studied molecules that could aid in designing of potent reagents SARS-CoV-2.Supplementary InformationThe online version contains supplementary material available at 10.1007/s13738-021-02438-y.