Net ecosystem CO2 exchange from jute crop (Corchorus olitorius L.) and its environmental drivers in tropical Indo-Gangetic plain using open-path eddy covariance technique.

Present study is a maiden attempt to assess net ecosystem exchange (NEE) of carbon dioxide (CO2) flux from jute crop (Corchorus olitorius L.) in the Indo-Gangetic plain by using open-path eddy covariance (EC) technique. Diurnal variations of NEE were strongly influenced by growth stages of jute crop. Daytime peak NEE varied from - 5 µmol m-2 s-1 (in germination stage) to - 23 µmol m-2 s-1 (in fibre development stage). The ecosystem was net CO2 source during nighttime with an average NEE value of 5-8 µmol m-2 s-1. Combining both daytime and nighttime CO2 fluxes, jute ecosystem was found to be a net CO2 sink on a daily basis except the initial 9 days from date of sowing. Seasonal and growth stage-wise NEEs were computed, and the seasonal total NEE over the jute season was found to be - 268.5 gC m-2 (i.e. 10.3 t CO2 ha-1). In different jute growth stages, diurnal variations of NEE were strongly correlated (R2 > 0.9) with photosynthetic photon flux density (PPFD). Ecosystem level photosynthetic efficiency parameters were estimated at each growth stage of jute crop using the Michaelis-Menten equation. The maximum values of photosynthetic capacity (Pmax, 63.3 ± 1.15 µmol CO2 m-2 s-1) and apparent quantum yield (α, 0.072 ± 0.0045 µmol CO2 µmol photon-1) were observed during the active vegetative stage, and the fibre development stage, respectively. Results of the present study would significantly contribute to understanding of the carbon flux from the Indian agro-ecosystems, which otherwise are very sparse.

Residual immune activation in HIV-Infected individuals expands monocytic-myeloid derived suppressor cells.

HIV-infected individuals on combined antiretroviral therapy (ART) with virologic suppression exhibit sustained immune dysfunction. Our recent work has highlighted that monocytic myeloid derived suppressor cells (M-MDSC) are elevated in these individuals and suppress immune responses. Factors responsible for M-MDSC expansion in vivo are unknown. Here we compared circulating frequency of M-MDSC in HIV-infected persons from the US and India where HIV subtype-B or -C predominate, respectively. We further investigated soluble mediators of residual immune activation in two cohorts and determined their correlation with M-MDSC expansion. Our findings show that M-MDSC are elevated and correlate with plasma levels of IL-6 in both cohorts. Chemokines CXCL10, CCL4 and CXCL8 were also elevated in HIV-infected individuals, but did not correlate with M-MDSC. These findings support that IL-6 is important in M-MDSC expansion which is independent of HIV subtype.

Role of Mediator and Effects of Temperature on ortho-C-N Bond Fusion Reactions of Aniline Using Ruthenium Templates: Isolation and Characterization of New Ruthenium Complexes of the in-Situ-Generated Ligands.

In this work, ortho-C-N bond fusion reactions of aniline are followed by the use of two different ruthenium mediators. Reaction of aniline with [RuIII(terpy)Cl3] (terpy = 2,2':6',2″-terpyridine) resulted in a trans bis-aniline ruthenium(II) complex [1]+ which upon oxidation with H2O2 produced compound [2]+ of a bidentate ligand, N-phenyl-1,2-benzoquinonediimine, due to an oxidative ortho-C-N bond fusion reaction. Complex [1]+ and aniline (neat) at 185 °C produced a bis-chelated ruthenium complex (3). A previously reported complex [RuII(N-phenyl-1,2-benzoquinonediimine)(aniline)2(Cl)2] (5) undergoes similar oxidation by air at 185 °C to produce complex [3]. A separate chemical reaction between aniline and strongly oxidizing tetra-n-propylammonium perruthenate [(n-pr)4N]+[RuO4]- in air produced a ruthenium complex [4] of a N4-tetraamidophenylmacrocycle ligand via multiple ortho-C-N bond fusion reaction. Notably, the yield of this product is low (5%) at 100 °C but increases to 25% in refluxing aniline. All these complexes are characterized fully by their physicochemical characterizations and X-ray structure determination. From their structural parameters and other spectroscopic studies, complex [2]+ is assigned as [RuII(terpy)(N-phenyl-1,2-benzoquinonediimine)(Cl)]+ whereas complex [4] is described as a ruthenium(VI) complex comprised of a reduced deprotonated N-phenyl-1,2-diamidobenzene and N4-tetraamidophenylmacrocyclic ligand. Complex [2]+ exhibits one reversible oxidation at 1.32 V and one reversible reduction at -0.75 V vs Ag/AgCl reference electrode. EPR of the electrogenerated complexes has revealed that the oxidized complex is a ruthenium(III) complex with an axial EPR spectrum at gav= 2.06. The reduced complex [2], on the other hand, shows a single-line EPR signal at gav= 1.998. In contrast, complex [4] shows two successive one-electron oxidation waves at 0.5 and 0.8 V and an irreversible reduction wave at -0.9 V. EPR studies of the oxidized complexes [4]+ and [4]2+ reveal that oxidations are ligand centered. DFT calculations were employed to elucidate the electronic structures as well as the redox processes associated with the above complexes. Aerial ortho-C-N bond fusion reactions of aniline using two different mediators, viz. [RuIII(terpy)Cl3] and [(n-pr)4N]+[RuO4]-, have been followed. It is found that in the case of oxidizable Ru(III) mediator complex, C-N bond fusion is limited only to dimerization reaction whereas the high-valent Ru(VII) salt mediates multiple C-N bond fusion reactions leading to the formation of a novel tetradentate N4-tetraamidophenylmacrocyclic ligand. Valence ambiguity in the complexes of the resultant redox-active ligands is scrutinized.

Double C(arom)-H activation associated with etheral oxygen insertion to phenazine architecture in oxidisable ruthenium(III) complexes: a mechanistic insight.

Three examples of unusual double aromatic CH bond activation associated with insertion of etheral oxygen atom to phenazine architecture in Ru(III) complexes are reported. The chemical transformations have led to the formation of new Ru(IV) complexes with angular pentacyclo heterocyclic ligands. A mechanistic investigation indicates that the overall process is a combination of successive steps involving air (O2 ) and H2 O.

Introducing a new azoaromatic pincer ligand. Isolation and characterization of redox events in its ferrous complexes.

The isolation and complete characterization of a new bis-azoaromatic ligand, 2,6-bis(phenylazo)pyridine (L), are described, and its coordination to iron(II) is reported. A pseudo-trigonal-bipyramidal mixed-ligand complex of iron(II), FeLCl2 (1), and a homoleptic octahedral iron complex, mer-[Fe(L)2]ClO4 [2]ClO4, have been synthesized from L and FeCl2 or hydrated Fe(ClO4)2, respectively, in boiling methanol. Determination of the X-ray crystallographic structure together with magnetic data (≈ 5.06 µB) and Mössbauer analysis of 1 established a high-spin Fe(II) complex ligated by one neutral 2,6-bis(phenylazo)pyridine ligand. The X-ray crystallographic structure (showing dN-N > 1.30 Å), Mössbauer data, and magnetic susceptibility measurements (≈ 1.65 µB) as well as a nearly isotropic EPR signal with only a small metal contribution at g = 1.968, on the other hand, suggest a low-spin Fe(II) complex with a one-electron-reduced radical ligand coordination in [2]ClO4. The ligand and the metal complexes have well-behaved redox properties, with the ligand(s) functioning as the redox-active site(s) responsible for redox events. The uncoordinated ligand, L, displays a reversible one-electron wave at -1.07 V and a quasi-reversible wave at -1.39 V. The partially reduced ligand L(•-) shows a single-line EPR spectrum at g = 2.001, signifying that L(•-) is a free radical. While complex 1 shows a reversible reduction at -0.08 V and an irreversible cathodic response at -0.98 V, the bis-chelate [2]ClO4 undergoes a reversible one-electron oxidation at 0.54 V and three successive reversible one-electron reductions at -0.18, -0.88, and -1.2 V, all occurring at the ligands without affecting the metal ion oxidation state. The electronic structures of the parent monocationic complex [2](+) and its oxidized and reduced forms, generated by exhaustive electrolyses, have been characterized by using a host of spectroscopic techniques and density functional theory (DFT). It is found that the 2,6-bis(phenylazo)pyridine ligand (L) is truly redox noninnocent and is capable of coordinating transition-metal centers in its neutral ([L](0)), monoanionic monoradical ([L(•)](-)), and dianionic diradical ([L(••)](2-)) forms.

Redox noninnocence in coordinated 2-(arylazo)pyridines: steric control of ligand-based redox processes in cobalt complexes.

A series of cobalt complexes of ligands based on the 2-(arylazo)pyridine architecture have been synthesized, and the precise structure and stoichiometry of the complexes depend critically on the identity of substituents in the 2, 4, and 6 positions of the phenyl ring. The 2-(arylazo)pyridine motif can support either Co(II) complexes with neutral ligands, Co(II)Cl2(L(a))2 (1), Co(II)Cl2(L(c))2 (3), [Co(II)Cl(L(b))2]2(PF6)2 (5[PF6]2), or Co(III) complexes of reduced 2-(arylazo)pyridine ligand radical anions, L(•-), Co(III)Cl(L(b•-))2 (2), Co(III)Cl(L(c•-))2 (4), and Co(III)Me(L(b•-))2 (6). All three members of the latter class are based on approximately trigonal-bipyramidal CoX(L(•-))2 architectures [L = 2-(arylazo)pyridine] with two azo nitrogen atoms and the X ligand (X = Cl or Me) in the equatorial plane and two pyridine nitrogen atoms occupying axial positions. Density functional theory suggests that the electronic structure of the Co(III) complexes is also dependent on the identity of X: the strong σ-donor methyl gives a low-spin (S = 0) configuration, while the σ/π-donor chloro gives an intermediate-spin (S = 1) local configuration. In certain cases, one-electron reduction of the Co(II)X2L2 complex leads to the formation of Co(III)X(L(•-))2; i.e., reduction of one ligand induces a further one-electron oxidation of the metal center with concomitant reduction of the second ligand.

Thermally Driven Multilevel Non-Volatile Memory with Monolayer MoS2 for Brain-Inspired Artificial Learning.

The demands of modern electronic components require advanced computing platforms for efficient information processing to realize in-memory operations with a high density of data storage capabilities toward developing alternatives to von Neumann architectures. Herein, we demonstrate the multifunctionality of monolayer MoS2 memtransistors, which can be used as a high-geared intrinsic transistor at room temperature; however, at a high temperature (>350 K), they exhibit synaptic multilevel memory operations. The temperature-dependent memory mechanism is governed by interfacial physics, which solely depends on the gate field modulated ion dynamics and charge transfer at the MoS2/dielectric interface. We have proposed a non-volatile memory application using a single Field Effect Transistor (FET) device where thermal energy can be ventured to aid the memory functions with multilevel (3-bit) storage capabilities. Furthermore, our devices exhibit linear and symmetry in conductance weight updates when subjected to electrical potentiation and depression. This feature has enabled us to attain a high classification accuracy while training and testing the Modified National Institute of Standards and Technology datasets through artificial neural network simulation. This work paves the way toward reliable data processing and storage using 2D semiconductors with high-packing density arrays for brain-inspired artificial learning.

Optimization of alkali pretreatment and enzymatic saccharification of jute (Corchorus olitorius L.) biomass using response surface methodology.

Reduction of inherent structural recalcitrance and improved saccharification efficiency are two important facets to enhance fermentable sugar yield for bioethanol production from lignocellulosic biomass. This study optimized alkaline pretreatment and saccharification conditions employing response surface methodology to improve saccharification yield of jute (Corchorus olitorius cv. JROB-2) biomass. The biomass is composed of cellulose (66.6 %), lignin (19.4 %) and hemicellulose (13.1 %). NaOH concentration exhibited significant effect on delignification during pretreatment. The highest delignification (80.42 %) was obtained by pretreatment with 2.47 % NaOH at 55.8 °C for 5.9 h removing 79.8 % lignin and 34.2 % hemicellulose from biomass, thereby increasing cell wall porosity and allowing better accessibility to saccharification enzyme. During saccharification optimization, significant effect was observed for biomass loading, enzyme concentration and temperature. Optimized saccharification condition yielded maximum saccharification (76.48 %) when hydrolysis was performed at 6.9 % biomass loading with enzyme concentration of 49.52 FPU/g substrate at 51.05 °C for 74.46 h.

Reconfigurable Low-Power TiO2 Memristor for Integration of Artificial Synapse and Nociceptor.

Bio-mimetic advanced electronic systems are emerging rapidly, engrossing their applications in neuromorphic computing, humanoid robotics, tactile sensors, and so forth. The biological synaptic and nociceptive functions are governed by intricate neurotransmitter dynamics that involve both short-term and long-term plasticity. To emulate the neuronal dynamics in an electronic device, an Ag/TiO2/Pt/SiO2/Si memristor is fabricated, exhibiting compliance current controlled reversible transition of volatile switching (VS) and non-volatile switching (NVS). The origin of the VS and NVS depends on the diameter of the conducting filament, which is explained using a field-induced nucleation theory and validated by temporal current response measurements. The switching delay of the device is used to determine the characteristic nociceptive behaviors such as threshold, relaxation, inadaptation, allodynia, and hyperalgesia. The short-term and long-term retention loss attributed to the VS and NVS, respectively, is used to emulate short-term memory and long-term memory of the biological brain in a single device. More importantly, synergistically modulating the VS-NVS transition, the complex spike rate-dependent (SRDP) and spike time-dependent plasticity (STDP) with a weight change of up to 600% is demonstrated in the same device, which is the highest reported so far for TiO2 memristors. Furthermore, the device exhibits very low power consumption, ∼3.76 pJ/spike, and can imitate synaptic and nociceptive functions. The consolidation of complex nociceptive and synaptic behavior in a single memristor facilitates low-power integration of scalable intelligent sensors and neuromorphic devices.

Upper respiratory tract microbiome profiles in SARS-CoV-2 Delta and Omicron infected patients exhibit variant specific patterns and robust prediction of disease groups.

IMPORTANCE: The role of the upper respiratory tract (URT) microbiome in predicting lung health has been documented in several studies. The dysbiosis in COVID patients has been associated with disease outcomes by modulating the host immune system. However, although it has been known that different SARS-CoV-2 variants manifest distinct transmissibility and mortality rates in human populations, their effect on the composition and diversity of the URT microbiome has not been studied to date. Unlike the older variant (Delta), the newer variant (Omicron) have become more transmissible with lesser mortality and the symptoms have also changed significantly. Hence, in the present study, we have investigated the change in the URT microbiome associated with Delta and Omicron variants and identified variant-specific signatures that will be useful in the assessment of lung health and can be utilized for nasal probiotic therapy in the future.

Aerial oxidation of protonated aromatic amines. Isolation, X-ray structure, and redox and spectral characteristics of N-containing dyes.

This work reports the results of our investigation on the aerial oxidation of aromatic amines that are promoted by protic acid. While primary aromatic amines produce substituted phenazines as major products, N-phenyl-o-phenylenediamine produces polycyclic aromatic heterocycles like azaacene and secondary and tertiary amines give exclusively the dyes containing a triphenylmethane moiety. Isolation of the compounds and the effects of substitutions on the aromatic rings have been investigated. In this context, plausible reaction steps that are involved have been discussed. Single-crystal X-ray structure analyses of the representative compounds are solved to authenticate their formation. In almost every case, a high degree of delocalization of electron was noted. The compounds have been characterized thoroughly and show rich spectral properties. For example, the phenazine molecules exhibited absorption peaks between 475 and 605 nm because of the charge-transfer transition from the amine and tricyclopyrazine moiety. Their acidochromic and solvatochromic behaviors, which are supported by theoretical calculations, are investigated. The polycyclic azacene molecule exhibits strong absorption in the visible region and fluoresces with high quantum yield. The phenazine dyes undergo a quasi-reversible reduction at a low cathodic potential that varies linearly as a function of Hammett's constant.

Foliar Spray of Micronutrients Alleviates Heat and Moisture Stress in Lentil (Lens culinaris Medik) Grown Under Rainfed Field Conditions.

The simultaneous occurrence of high temperature and moisture stress during the reproductive stage of lentil (Lens culinaris Medik) constrains yield potential by disrupting the plant defense system. We studied the detrimental outcomes of heat and moisture stress on rainfed lentils under residual moisture in a field experiment conducted on clay loam soil (Aeric Haplaquept) in eastern India from 2018 to 2019 and from 2019 to 2020 in winter seasons. Lentil was sown on two dates (November and December) to expose the later sowing to higher temperatures and moisture stress. Foliar sprays of boron (0.2% B), zinc (0.5% Zn), and iron (0.5% Fe) were applied individually or in combination at the pre-flowering and pod development stages. High temperatures increased malondialdehyde (MDA) content due to membrane degradation and reduced leaf chlorophyll content, net photosynthetic rate, stomatal conductance, water potential, and yield (kg ha-1). The nutrient treatments affected the growth and physiology of stressed lentil plants. The B+Fe treatment outperformed the other nutrient treatments for both sowing dates, increasing peroxidase (POX) and ascorbate peroxidase (APX) activities, chlorophyll content, net photosynthetic rate, stomatal conductance, relative leaf water content (RLWC), seed filling duration, seed growth rate, and yield per hectare. The B+Fe treatment increased seed yield by 35-38% in late-sown lentils (December). In addition, the micronutrient treatments positively impacted physiological responses under heat and moisture stress with B+Fe and B+Fe+Zn alleviating heat and moisture stress-induced perturbations. Moreover, the exogenous nutrients helped in improving physiochemical attributes, such as chlorophyll content, net photosynthetic rate, stomatal conductance, water potential, seed filling duration, and seed growth rate.

Metal tolerance in plants: Molecular and physicochemical interface determines the "not so heavy effect" of heavy metals.

An increase in technological interventions and ruthless urbanization in the name of development has deteriorated our environment over time and caused the buildup of heavy metals (HMs) in the soil and water resources. These heavy metals are gaining increased access into our food chain through the plant and/or animal-based products, to adversely impact human health. The issue of how to restrict the entry of HMs or modulate their response in event of their ingress into the plant system is worrisome. The current knowledge on the interactive-regulatory role and contribution of different physical, biophysical, biochemical, physiological, and molecular factors that determine the heavy metal availability-uptake-partitioning dynamics in the soil-plant-environment needs to be updated. The present review critically analyses the interactive overlaps between different adaptation and tolerance strategies that may be causally related to their cellular localization, conjugation and homeostasis, a relative affinity for the transporters, rhizosphere modifications, activation of efflux pumps and vacuolar sequestration that singly or collectively determine a plant's response to HM stress. Recently postulated role of gaseous pollutants such as SO2 and other secondary metabolites in heavy metal tolerance, which may be regulated at the whole plant and/or tissue/cell is discussed to delineate and work towards a "not so heavy" response of plants to heavy metals present in the contaminated soils.

Prevalence and reasons behind use of injectable contraceptive among the women of reproductive age group: A cross-sectional survey in rural areas of Nadia District, West Bengal.

CONTEXT: Estimated 42 million reproductive age group women currently use injectable contraceptive, fourth most prevalent contraceptive worldwide. AIMS: To find out the prevalence, reasons and the associated factors for using injectable contraceptive among the women of reproductive age group. SETTINGS AND DESIGN: A sub-centre-based observational, cross sectional survey was conducted among 212 reproductive age group women living in the rural areas of a district, West Bengal. METHODS AND MATERIAL: A multi-stage cluster random sampling technique was done considering villages as the cluster to get the required sample. Totally, 212 reproductive age group women were chosen from a total of 16 villages, selected by simple random sampling. Information regarding study variables was collected by direct interview of the respondents by visiting individual houses with help of a pre-designed, semi-structured proforma. Strict confidentiality and anonimousity were maintained throughout the study. STATISTICAL ANALYSIS USED: Data were analysed with SPSS 22.0 (licensed). Mean, median, proportion were used for quantitative variables whereas qualitative attributes were presented by proportion. Associations between dependent and independent variables were tested by Chi-square test. RESULTS: The proportion of teenage marriage was unexpectedly high. More than half mothers were unwilling to have babies in future. One-third of study population used injectable contraceptive, ASHA was the main suggestion provider in choosing the method. The major reasons of use were discomfort in previous method and suggestion of service provider. Irregular menstrual problem and easy maintenance was the commonest cause of dissatisfaction and satisfaction, respectively. CONCLUSIONS: Use of injectable contraceptive must be sincerely promoted through social marketing and the front line health workers should motivate the women to use it by providing correct information.

Quality of life and depression among diabetic patients attending the lifestyle clinic of a teaching hospital, West Bengal.

CONTEXT: The coexistence of diabetes and depression has resulted in poor quality of life. Reported literature suggested the need for research for assessing the correlates of both quality of life along with depression in diabetic persons. AIMS: To assess the quality of life (QOL), the prevalence of depression and associated factors in diabetic patients attending the lifestyle clinic of a tertiary healthcare facility in Eastern India. SETTINGS AND DESIGN: This hospital-based descriptive, cross-sectional research recruited 219 patients with diabetes to assess the QOL and depression in the lifestyle clinic of a tertiary healthcare facility. METHODS AND MATERIALS: The quality of life was assessed with the help of the World Health Organization (WHO) QOL BREF instrument. Depression was determined by a standardized Patient Health Questionnaire - 9(PHQ-9). The sociodemographic and diabetes-related information were collected by a semistructured questionnaire. Clinical and anthropometric examinations were conducted. STATISTICAL ANALYSIS USED: All the available data were initially coded and then analyzed using the SPSS 22.0 licensed software. RESULTS: The participants had a median age of 54 years. Illiteracy was significantly more among females. Hypertension was the most common comorbidity. Gender-wise difference in mean of weight, height, hip circumference, and QOL score in the psychosocial domain was significant. The mean QOL score was least in the social domain and highest in the environmental domain. Literate patients had a statistically significantly better QOL. Depression was observed significantly more in females, illiterates, and unemployed respondents. CONCLUSIONS: Diabetic women with lesser literacy have an increased risk of poor QOL. Women, illiterates, and the unemployed suffered more from depression. Therefore, a target-specific, routine, and well-planned clinic approach is needed to improve the QOL and mental health of respondents.

Compliance to iron-folic-acid supplementation and associated factors among pregnant women: A cross-sectional survey in a district of West Bengal, India.

BACKGROUND: Iron-deficiency anemia is considered to be a major health problem in India. This can complicate a normal pregnancy resulting in poor maternal and fetal outcomes. Iron-folic-acid (IFA) supplementation to antenatal and postnatal mothers given through the National Health Mission (NHM) serves as a major tool to combat this problem. AIM: This study aimed to assess compliance to IFA supplement and associated factors among antenatal mothers in a district of West Bengal, India. METHODS: A cross-sectional observational study was conducted among 208 pregnant mothers attending different subcenters, using multistage sampling technique. Data were collected on their demographic, obstetric profile, compliance to IFA tablets, and knowledge on various health care-related factors through direct interviews. Data were analyzed using SPSS 22.0 (licensed) considering the confidence interval to be 95%. RESULTS: Compliance rate was 81.74%. The most common cause of noncompliance was forgetfulness (73.7%). On multivariate regression analysis, age, history of deworming, and education became the significant predictors for noncompliance to IFA. CONCLUSIONS: Compliance to IFA supplementation was better than the national average, although deworming and education can lead to a better outcome. Health workers played a pivotal role for the success of this national program.

Effect of Prophylactic Management of Hemophilia on Bleeding Episodes.

Hemophilia A (factor VIII deficiency) and hemophilia B (factor IX deficiency) are the most common and serious congenital coagulation factor deficiencies with repeated hemarthroses leading to development of target joints. Continuous prophylaxis is regular infusion of factor concentrates at fixed dose at regular interval to prevent hemorrhages. The study was designed to assess the outcome of continuous prophylaxis in hemophilia on bleeding episodes. It was conducted from November, 2017 to April, 2018 in the Paediatrics Department of Midnapore Medical College, Paschim Medinipur, West Bengal on 33 boys from 4 to 18 years of age suffering from Hemophilia with frequent bleeding episodes. Prior to starting continuous prophylaxis all the patients' target joint(s) were assessed based on Gilbert Score and bleeding episodes in the last 6 months were assessed based on Annualized Bleeding Rate and ISTH-BAT Score. All the children were provided prophylaxis therapy with plasma derived Factor concentrate twice per week at a dose of 20 + - 2 IU/Kg. All bleeding episodes of the children during prophylaxis were recorded. Bleeding episodes showed significant improvement only in children who could sufficiently adhere to continuous prophylactic therapy. Continuous prophylaxis reduces bleeding episodes in Hemophilia in twice weekly protocol provided the patients sufficiently adhere to continuous prophylaxis regimen.

The crystal structure of sulfamethoxazole, interaction with DNA, DFT calculation, and molecular docking studies.

Sulfamethoxazole (SMX) [4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide] is structurally established by single crystal X-ray diffraction measurement. The crystal packing shows H-bonded 2D polymer through N(7)-H(7A)-O(2), N(7)-H(7B)-O(3), N(1)-H(1)-N(2), C(5)-H(5)-O(3)-S(1) and N(7)-(H7A)-O(2)-S(1). Density Functional Theory (DFT) and Time Dependent-DFT (TD-DFT) computations of optimized structure of SMX determine the electronic structure and has explained the electronic spectral transitions. The interaction of SMX with CT-DNA has been studied by absorption spectroscopy and the binding constant (Kb) is 4.37×10(4)M(-1). The in silico test of SMX with DHPS from Escherichia coli and Streptococcus pneumoniae helps to understand drug metabolism and accounts the drug-molecule interactions. The molecular docking of SMX-DNA also helps to predict the interaction feature.

Clinico-epidemiological study of leprosy in an urban area of West Bengal.

A cross-sectional study was carried out at Naihati municipal area in West Bengal to study the prevalence and some epidemiological factors in transmission of leprosy. Side by side, the validity of WHO operational classification was also tested by using slit skin smear examination as gold standard. A group of trained paramedical workers, supervised by epidemiologist conducted house to house survey work. Experienced dermatologist and neurologist examined suspected cases. Overall prevalence of leprosy were 9.9 per 10000, of which 53% were new cases. Epidemiologically manual workers, living in slums and unhygienic surroundings had significantly higher risk of developing leprosy. Sensitivity and specificity of WHO operational classification (> 5 skin lesion= MB) was found to be quite high (sensitivity 85.9% and specificity 83.3%) in this study. However addition of > 2 nerve lesions to this criteria increase sensitivity to 90.1% without much affecting the specificity (79.8%).