Fluorescence Quenching and the Chamber of Nitroaromatics: A Dinaphthoylated Oxacalix[4]arene's (DNOC) Adventure Captured through Computational and Experimental Study.

This research presents the application of Dinaphthoylated Oxacalix[4]arene (DNOC) as a novel fluorescent receptor for the purpose of selectively detecting nitroaromatic compounds (NACs). The characterization of DNOC was conducted through the utilization of spectroscopic methods, including 1H-NMR, 13C-NMR, and ESI-MS. The receptor demonstrated significant selectivity in acetonitrile towards several nitroaromatic analytes, such as MNA, 2,4-DNT, 2,3-DNT, 1,3-DNB, 2,6-DNT, and 4-NT. This selectivity was validated by the measurement of emission spectra. The present study focuses on the examination of binding constants, employing Stern-Volmer analysis, as well as the determination of the lowest detection limit (3σ/Slope) and fluorescence quenching. These investigations aim to provide insights into the inclusion behavior of DNOC with each of the six analytes under fluorescence spectra investigation. Furthermore, the selectivity trend of the ligand DNOC for NAC detection is elucidated using Density Functional Theory (DFT) calculations conducted using the Gaussian 09 software. The examination of energy gaps existing between molecular orbitals, namely the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), provides a valuable understanding of electron-transfer processes and electronic interactions. Smaller energy gaps are indicative of heightened selectivity resulting from favorable electron-transfer processes, whereas bigger gaps suggest less selectivity attributable to weaker electronic contacts. This work integrates experimental and computational methodologies to provide a full understanding of the selective binding behavior of DNOC. As a result, DNOC emerges as a viable chemical sensor for detecting nitroaromatic explosives.

Design and Synthesis of an Efficient Fluorescent Probe Based on Oxacalix[4]arene for the Selective Detection of Trinitrophenol (TNP) Explosives in Aqueous System.

We present the synthesis of a new oxacalix[4]arene system, DMANSOC, wherein two 5-(dimethylamino)-1-naphthalene sulfonamide subunits are attached to the lower rims of the basic oxacalix[4]arene platform. Extensive spectrophotometric studies were conducted to investigate the selectivity and sensitivity of DMANSOC towards nitroaromatic explosives. Detailed analysis of spectrophotometric data, utilizing techniques such as Stern-Volmer, Benesi-Hildebrand, Job's plot, and interference study, unequivocally demonstrated the effectiveness of DMANSOC as a highly efficient fluorescent sensor for 2,4,6-trinitrophenol explosive (TNP) detection in an aqueous medium. The sensor exhibited a linear concentration range of 7.5 µM to 50 µM, with a low detection limit of 4.64 µM and a high binding affinity of 2.45 × 104 M towards TNP. Furthermore, the efficiency of the sensor in environmental samples contaminated with TNP was evaluated, yielding excellent recovery rates. Complementary DFT calculations and molecular dynamics simulations were performed to elucidate the mechanism behind the selective fluorescence quenching of DMANSOC in the presence of TNP.

Multiplex PCR for rapid differential diagnosis of co-prevalent species of Theileria (Theileria annulata and Theileria orientalis) in cattle.

Theileriosis is a tick-borne disease that causes enormous losses in the dairy industry. There are several species of Theileria that can infect bovines. Generally, more than one species are prevalent in any geographical area; thus, chances of co-infections are high. Differentiation of these species may not be possible by microscopic examination or serological tests. Therefore, in this study, a multiplex PCR assay was standardized and evaluated for rapid and simultaneous differential detection of two species of Theileria viz., Theileria annulata and Theileria orientalis. Species-specific primers were designed to target the merozoite piroplasm surface antigen gene (TAMS1) of T. annulata and the major piroplasm surface protein gene of T. orientalis, yielding specific amplicon of 229 bp and 466 bp, respectively. The sensitivity of multiplex PCR was 102 and 103 copies for T. annulata and T. orientalis, respectively. The simplex and multiplex PCRs were specific and showed no cross-reactivity with other hemoprotozoa for either primer. For comparative evaluation, blood samples from 216 cattle were tested by simplex and multiplex PCR for both species. Using multiplex PCR, 131 animals were found infected for theileriosis, of which 112 were infected with T. annulata, five were infected with T. orientalis, and 14 had mixed infections. This is the first report of T. orientalis from Haryana, India. Representative sequences of T. annulata (ON248941) and T. orientalis (ON248942) were submitted in GenBank. The standardized multiplex PCR assay used in this study was specific, sensitive, for the screening of field samples.

An overview of advancement in aptasensors for influenza detection.

INTRODUCTION: The platforms for early identification of infectious diseases such as influenza has seen a surge in recent years as delayed diagnosis of such infections can lead to dreadful effects causing large numbers of deaths. The time taken in detection of an infectious disease may vary from a few days to a few weeks depending upon the choice of the techniques. So, there is an urgent need for advanced methodologies for early diagnosis of the influenza. AREAS COVERED: The emergence of "Aptasensor" synergistically with biosensors for diagnosis has opened a new era for sensitive, selective and early detection approaches. This review described various conventional as well as advanced methods based on artificial immunogenic nucleotide sequences complementing a part of the virus, i.e., aptamers based aptasensors for influenza diagnosis and the challenges faced in their commercialization. EXPERT OPINION: Although numerous traditional methods are available for influenza detection but mostly associated with low sensitivity, specificity, high cost, trained personnel, and animals required for virus culture/ antibody raising as the major drawbacks. Aptamers can be manufactured invitro as 'chemical antibodies' at commercial level, no animal required. Following these advantages, aptamers can pave the way for an efficient diagnostic technique as compared to other existing conventional methods..

Pyrene functionalized oxacalix[4]arene architecture as dual readout sensor for expeditious recognition of cyanide anion.

A pyrene functionalized oxacalix[4]arene architecture (DPOC) was utilized as a fluorescence probe for selective recognition of cyanide ions. The receptor DPOC shows excellent selectivity towards cyanide ion with a red shift of 108 nm in absorption band along with a significant change in colour from light yellow to pink. The fluorescence titration experiments further confirm the lower limit of detection as 1.7µM with no significant influences of competing anions. 1 H-NMR titration experiments support the deprotonation phenomena, as the -NH proton disappears upon successive addition of cyanide ions. The DFT calculation also indicates a certain increment of -NH bond length upon interaction with cyanide ions. The spectral properties as well as colour of DPOC-CN- system may be reversed upon the addition of Ag+/ Cu2+ ions up to 5 consecutive cycles. Moreover, DPOC coated "test strips" were prepared for visual detection of cyanide ions.

Recent Advancements for the Recognization of Nitroaromatic Explosives Using Calixarene Based Fluorescent Probes.

In this era, explosives are easily available compared to the early days. Thus, more effective detection of explosives has become the main concern of homeland security. In the past decades, a large number of sensing materials have been developed for the detection of explosives in solid, vapor, and solution states through fluorescence methods. In recent years, great efforts have been devoted to developing new fluorescent materials with various sensing mechanisms for detecting explosives in order to achieve super-sensitivity, ultra-selectivity, as well as fast response time. Modified calixarenes have high potentials to detect nitroaromatic compounds (NACs) due to their favorable structural properties. It summarizes the detection of NACs by the modified calixarene system formed by the complex. Various methodologies responsible for complex formation and binding mechanisms (PET, FRET, EE, etc.) are the centerpiece of this review. Finally, conclusions and future outlook are presented and discussed.

A novel approach to detect barium in gunshot residue using a handheld device: a forensic application.

The present manuscript describes an innovative handheld device for the rapid detection of barium (Ba2+) in Gunshot Residue (GSR) based on the use of gold nanomaterials capped with sodium malonate. The method depends on a shift in the Light Scattering Plasmon Resonance (LSPR) peak of malonate capped gold nanoparticles (AuNPs) from 526 nm to 610.5 nm, due to the carboxylate ion aggregation between the metal and the nanoparticles leading to a change in the color. Qualitative detection was realized by the change in the color, while for quantitative analysis a handheld device has been fabricated in-house. The results were then correlated with those of standard known methods such as UV-Vis Spectroscopy and Inductively Coupled Plasma-Optical Emission Spectroscopy (ICP-OES). The results showed better correlation between the fabricated device and standard methods with R2 = 0.98. It shows a linearity range from 0.01 mg mL-1 to 5 mg mL-1 with a Limit of Detection (LOD) of 0.2 mg mL-1. Furthermore, GSR samples were collected from cloth piece set at different range of shooting (i.e. 1 ft to 16.40 ft) using different ammunition to detect the presence of Ba2+ with the help of the developed device and results were found similar to those of the known methods. The hand-held device was found to be unaffected by other interfering agents (i.e. Pb2+, Sb3+, Ca2+, Cu2+, Hg2+, Mg2+, As3+, Cr3+, etc.). The results demonstrated here shows high selectivity, sensitivity and rapid method for Ba2+ detection in GSR, showing its greater potentiality in future.

A clinicopathological pattern of cutaneous tuberculosis and HIV concurrence in western Rajasthan.

Background: Cutaneous tuberculosis (TB) forms a small subset of extrapulmonary TB and continues to be a significant diagnostic dilemma in routine practice. The present study is an attempt to find the incidence, clinical spectrum, and histopathological features of cutaneous TB in western Rajasthan. The relation of cutaneous TB with the human immunodeficiency virus (HIV) was also assessed. Method: A total of 40 cases of newly diagnosed patients of cutaneous TB attending the dermatology outpatient department over a period of 1 year were included in the study. A detailed clinical examination and investigations including histopathological examination were carried out. Results: The overall incidence of cutaneous TB was 0.025% (40 of 160,000 outpatients). HIV concurrence was 5% (2 cases) of all cutaneous TB cases. The most common variants were scrofuloderma (40%), lupus vulgaris (30%), TB verrucosa cutis (8%), orificial TB (2%), and lichen scrofulosorum (2%). Males suffered more than females (2.07:1) and all patients belonged to lower socioeconomic class. The Mantoux test was positive in 65% of cases. Extracutaneous involvement occurred in 17 (42.50%) cases. Characteristic well-defined tuberculoid granulomas were seen in 60% of cases, whereas 40% of cases showed nonspecific changes. Conclusion: : This study provides the epidemiological data of cutaneous TB in western Rajasthan, identifies the clinicohistopathological pattern, and calls the attention of the health-care professionals that they should improve the propaedeutics of neglected and underdiagnosed cases of cutaneous TB that is prevalent in the lower socioeconomic group. Due to the varied clinical presentations, physician awareness and a high index of suspicion are necessary to diagnose cutaneous forms of TB.

Distribution of VOCs in urban and rural atmospheres of subtropical India: Temporal variation, source attribution, ratios, OFP and risk assessment.

This paper reports the first study which comprises the seasonal, diurnal variability, source characterization, ozone forming potential and risk assessment of volatile organic compounds (VOCs) at three sites (two urban and one rural) in the National Capital Territory of Delhi, India. The study was performed during three seasons of the year 2013-14 and two different categories of VOCs (aromatics and halogenated) have been selected. The study used the sampling and analytical procedures of NIOSH methods. Results showed that the mean concentration of sum of VOCs (∑VOC) is significantly higher at urban sites (110.0 and 137.4µg/m3 for JN and CP, respectively) as compared to the rural site, DP (56.5µg/m3). The contribution of individual to total VOC concentrations is noticed to be very similar at all the three sites. Most of the VOCs are observed to be significantly higher in winter followed by summer and autumn. Diurnal cycles of aromatic VOCs are highly influenced by the vehicular traffic and photochemical oxidations which showed higher and lower levels during morning/evening and daytime, respectively. Diagnostic ratios of the toluene/benzene (ranged from 0.65 to 13.9) infers the vehicular traffic might be the main contributing source in the urban sites while xylene/benzene ratio (ranged from 0.7 to 2.8) confirms the VOCs are transported to rural site from the nearby urban areas. Correlation and factor analysis suggested the sources are group of different species (traffic emissions, solvent usage and industrial) rather than single gas. The analysis of reactivity in terms of Prop-Equiv concentrations and ozone forming potential indicated that m/p-xylene and toluene are the main VOC contributing to the total ozone formation in urban and rural sites, respectively. Hazard ratios and lifetime cancer risk values exceeded the permissible standards established by USEPA and WHO suggests that the people are at significant risk.

Kindler's Syndrome: A Tale of Two Siblings.

Kindler's syndrome (KS) is a rare inherited skin disease characterized by acral blistering, photosensitivity, progressive poikiloderma, and cutaneous atrophy along with different types of mucosal involvement. We hereby report KS in two siblings. The case is being reported for its rarity and for emphasizing the importance of considering this condition in the differential diagnosis of disorders that may cause blistering, cutaneous atrophy, and/or poikilodermatous skin changes. Besides, the presentation of the disease in two of the members of the same family makes the case even more interesting.

Statistical modeling of O3, NOx, CO, PM2.5, VOCs and noise levels in commercial complex and associated health risk assessment in an academic institution.

Indoor Air Quality (IAQ) is considered to be of great concern due to its adverse impact on the human health nowadays. The presence of different air pollutants along with noise may aggravate the IAQ. The present study attempts to examine IAQ in terms of major criteria air pollutants (O3, NOx=NO+NO2, CO and PM2.5) along with total volatile organic compound (TVOC), individual VOC and noise pollution in indoor and outdoor environment of a Commercial Shopping Complex (CSC) in Delhi. Real time measurements have been carried out for O3, NOx, CO, PM2.5, TVOC and noise while thirteen individual VOCs have been estimated using NIOSH method was performed using Gas Chromatograph. The study also aimed to find out the relationship among VOCs, source estimation using Principal Component Analysis. The observed results for the targeted pollutants were also compared with international and national recommended permissible values. The mean values of O3, NOx, CO, PM2.5 and TVOC are found to be 17.6/(15.0) ppb, 15.8/(14.1) ppb, 8.4/(1.9) ppm, 125.4/(74.6) µg/m3 and 412.5/(226.5) µg/m3 for indoor/(outdoor), respectively. Among the individual VOC, toluene was the most abundant followed by xylene-isomers and benzene. The noise pollution level in Indoor/outdoor were found to be 51.5/46.4dB which is below the guideline value (65dB) provided by the WHO. Most of the pollutants were found to have indoor sources. The different kinds of pollutants and noise may have synergistic effect and aggravate the health of the people working and visiting the CSC.

Magnetic removal of Entamoeba cysts from water using chitosan oligosaccharide-coated iron oxide nanoparticles.

Amebiasis, a major health problem in developing countries, is the second most common cause of death due to parasitic infection. Amebiasis is usually transmitted by the ingestion of Entamoeba histolytica cysts through oral-fecal route. Herein, we report on the use of chitosan oligosaccharide-functionalized iron oxide nanoparticles for efficient capture and removal of pathogenic protozoan cysts under the influence of an external magnetic field. These nanoparticles were synthesized through a chemical synthesis process. The synthesized particles were characterized by transmission electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction, and zeta potential analysis. The particles were found to be well dispersed and uniform in size. The capture and removal of pathogenic cysts were demonstrated by fluorescent microscopy, transmission electron microscopy, and scanning electron microscopy (SEM). Three-dimensional modeling of various biochemical components of cyst walls, and thereafter, flexible docking studies demonstrate the probable interaction mechanism of nanoparticles with various components of E. histolytica cyst walls. Results of the present study suggest that E. histolytica cysts can be efficiently captured and removed from contaminated aqueous systems through the application of synthesized nanoparticles.

An assessment of ozone levels, UV radiation and their occupational health hazard estimation during photocopying operation.

This study investigates the levels of ozone concentration along with an ultraviolet (UV) and visible spectral radiation at eight photocopy centers in an academic institute, Delhi. Sampling was done in two types of locations, i.e., basement photocopy centers (BPC) and ground floor photocopy centers (GPC) for 8h. Measurements of levels of ozone, UV and visible radiation were done by ozone analyzer, UV radiometer and Field spectra instrument, respectively. Results show that the hourly mean concentration of ozone was observed to be in the range of 1.8-10.0 ppb and 5.3-45.8 ppb for BPC and GPC, respectively. In terms UV radiations, energy lies between 5.0×10(-3) and 7.0×10(-3) mW/cm(2) for ultraviolet A (UVA), 1.0×10(-3) and 2.0×10(-3) mW/cm(2) for ultraviolet B (UVB) and 6.0×10(-3) and 8.0×10(-3) mW/cm(2) for ultraviolet C (UVC). Correlation between the UV radiations and ozone production observed was statistically insignificant. To know the health hazard occurred to the workers, the standard erythema dose (SED) value was calculated for emitting UV radiation. The SED was estimated to be in the range of 0.02-0.04 and 0.02-0.32 for direct and indirect methods which is less than the guideline prescribed by Commission Internationale del' Eclairage (CIE). In nutshell, person involved in photocopy operation for their livelihood must be trained and should have knowledge for the long term gradual build up health problems due to ozone and UV production from photocopier. The manufactures should be ultimated with the significant ozone production, so that photocopier machine can be redesigned.

Chemical composition of the fatty oils of the seeds of Cleome viscosa accessions.

Fatty oils of the seeds of Cleome viscosa accessions from Delhi, Jaipur, Faridabad, Surajkund and Hyderabad were methylated and analyzed by GC and GC-MS.The major fatty acids, identified as their methyl esters, of the oils from these five locations were palmitic acid (10.2-13.4%), stearic acid (7.2-10.2%), oleic acid (16.9-27.1%) and linoleic acid (47.0-61.1%). In addition, palmitoleic acid,octadec-(11E)-enoicacid, arachidic acid, eicosa-(11Z)-enoic acid, linolenic acid, heneicosanoic acid, behenic acid, lignoceric acid, pentacosanoic acid, hexacosanoic acid, 12-oxo-stearic acid, and the alkanes tetracosane, pentacosane, hexacosane, heptacosane, octacosane, nonacosane, triocontane, hentriacontane and dotriacontane, were also identified as minor and trace constituents in some of these oils.

Biodiesel production from seed oil of Cleome viscosa L.

Edible oil seed crops, such as rapeseed, sunflower, soyabean and safflower and non-edible seed oil plantation crops Jatropha and Pongamia have proved to be internationally viable commercial sources of vegetable oils for biodiesel production. Considering the paucity of edible oils and unsustainability of arable land under perennial plantation of Jatropha and Pongamia in countries such as India, the prospects of seed oil producing Cleome viscosa, an annual wild short duration plant species of the Indogangetic plains, were evaluated for it to serve as a resource for biodiesel. The seeds of C. viscosa resourced from its natural populations growing in Rajasthan, Haryana and Delhi areas of Aravali range were solvent extracted to obtain the seed oil. The oil was observed to be similar in fatty acid composition to the non-edible oils of rubber, Jatropha and Pongamia plantation crops and soybean, sunflower, safflower, linseed and rapeseed edible oil plants in richness of unsaturated fatty acids. The Cleome oil shared the properties of viscosity, density, saponification and calorific values with the Jatropha and Pongamia oils, except that it was comparatively acidic. The C. viscosa biodiesel had the properties of standard biodiesel specified by ASTM and Indian Standard Bureau, except that it had low oxidation stability. It proved to be similar to Jatropha biodiesel except in cloud point, pour point, cold filter plugging point and oxidation stability. In view of the annual habit of species and biodiesel quality, it can be concluded that C. viscosa has prospects to be developed into a short-duration biodiesel crop.

A study of urban heat island and its association with particulate matter during winter months over Delhi.

Day and night time thermal mapping of Delhi has been done with MODIS satellite data for the months of November and December for years 2007, 2008, 2009 and 2010. The study reveals the formation of day time "cool island" over central parts of Delhi which are found to be cooler by a maximum of 4-6 °C than the surrounding rural areas. During the night time, however, the central parts of Delhi are found to be warmer by a maximum of 4-7 °C or even more than the surrounding rural areas thus confirming the formation of nocturnal urban heat island over Delhi. Measurements of solar spectral irradiance over Delhi reveal significantly lower values as compared to a rural site located south-west of Delhi, during the low wind conditions in the months of November and December. Analysis of average monthly temporal data of surface wind speed and particulate matter concentration over Delhi reveals a strong anti-correlation between wind speed and particulate matter concentration. High values of particulate matter during low wind conditions seem to favor the so called "cool island" over Delhi. Analysis of radiosonde data of 975 hPa and 850 hPa temperatures over Delhi during November and December from 1973 to 2010 reveals a warming trend at the 850 hPa level and an overall declining trend of ∆T between 975 hPa temperatures and 850 hPa temperatures, thus indicating a weakening of vertical thermal gradients over Delhi during these months. The study suggests that urban areas behave more like moderators of diurnal temperature variation in low wind conditions.

Reusable nanomaterial and plant biomass composites for the removal of Methylene Blue from water.

A novel composite has been prepared from nanomaterials and powdered orange peel. The composite is adhered to a plastic strip and may be employed for the removal of synthetic dyes from aqueous solutions, for example from dyehouse effluents. Using Methylene Blue (CI Basic Blue 9) as the reference dye, the characteristics of the adsorbent have been studied. The effect of pH, type of nanomaterial (e.g. carbon nanotubes, activated carbon nanotubes, or titanium dioxide nanoparticles), contact time, and reusability have each been investigated. The results show that the adsorption capacity of suspended orange peel powder, an orange peel strip, and an activated carbon nanotube/orange peel strip were 46%, 67% and 78%, respectively. The uptake of dye was greatly affected by the pH of the solution, maximum absorption being obtained at pH 10, and none at all at pH 2. The improved performance was probably the result of the increased area available for adsorption compared with orange peel powder alone. The system was found to be reusable for up to six cycles without appreciable loss of adsorption and desorption efficiency. The nanomaterial in the composite enhanced performance, not only by increasing adsorption efficiency but also by inhibiting biodegradation of the orange peel powder, thereby increasing the life of the strips. The system offers an economical, user-friendly, efficient and reusable adsorption treatment for the removal of dyes from wastewater.

Study of smoke aerosols under a controlled environment by using dynamic light scattering.

The size of cigarette smoke aerosols was determined with the photon-correlation technique. The effects of temperature and concentration on aerosol size were also observed. We found that aerosol size increases almost linearly with an increase in concentration but decreases with an increase in temperature.