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In the pursuit of understanding surface water quality for sustainable urban management, we created a machine learning modeling framework that utilized Random Forest (RF), Cubist, Extreme Gradient Boosting (XGB), Multivariate Adaptive Regression Splines (MARS), Gradient Boosting Machine (GBM), Support Vector Machine (SVM), and their hybrid stacking ensemble RF (SE-RF), as well as stacking Cubist (SE-Cubist), to predict the distribution of water quality in the Howrah Municipal Corporation (HMC) area in West Bengal, India. Additionally, we employed the ReliefF and Shapley Additive exPlanations (SHAP) methods to elucidate the underlying factors driving water quality. We first estimated the water quality index (WQI) to model seven water quality parameters: total hardness (TH), pH, total dissolved solids (TDS), dissolved oxygen (DO), biochemical oxygen demand (BOD), calcium (Ca), magnesium (Mg). Then six independent factors were utilized (i.e. Precipitation (Pr), Maximum Temperature (Tmax), Minimum Temperature (Tmin), Normalized Difference Turbidity Index (NDTI), Normalized Difference Chlorophyll Index (NDCI), and Total Dissolved Solids (TDS)) for predicting the WQI mapping through the different ML models. This study demonstrated that the SE-Cubist model outperforms other ML models. During the testing phase, it achieved the best modeling results with an R 2  = 0.975, RMSE = 0.351, and MAE = 0.197. The ReliefF and SHAP analyses identified Pr and Tmax as the most significant factors influencing WQI within the study area., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Background: Despite progress, the prevalence of childhood undernutrition in India remains amongst the highest globally., Objective: We aimed to evaluate the impact of a functional integration interventional package during the antenatal period on childhood growth parameters., Methods: This is a post-interventional follow-up study of a maternal nutrition interventional study conducted between 2018 and 2019 among women in their first trimester of pregnancy from three districts in West Bengal, India. Pregnant women received a package of augmented interventions from study staff which supplemented those provided to them under the state-run programmes, that included body-mass-index measurement at pregnancy registration, monthly weight monitoring, targeted dietary counselling, supervised supplementary nutrition intake and iron-folic acid supplementation during daily anganwadi center visits. In the current follow-up study conducted in 2021, age-matched pregnant women from the same areas who were pregnant during the same period as in the original study and had received standard-of-care under the state-run programmes were recruited into a comparison group. Study staff collected data regarding maternal height and serial weights that were recorded at antenatal visits in 2018-19, and birth and infant characteristics. Child height and weight were measured during the follow-up visit in 2021, which were used to calculate the relative risks of stunting, wasting and underweight using generalized linear models, to understand the sustained impact of the intervention beyond infancy. Eight-hundred-nine mother-child dyads (406 intervention; 403 comparison) were followed., Results: Median age of women in the intervention and comparison group was 23 (IQR 20-25) and 25 (IQR 24-27) years respectively. Median gestational-weight-gain was higher amongst intervention group women (9 vs. 8 kg, p = 0.04). Low-birth-weight prevalence was 29.3% (119/406) and 32.0% (129/403) in the intervention and comparison group. At 12-35 months of age, children born to women in the intervention group had significantly reduced risk of stunting (RR = 0.65, 95% CI 0.44-0.94), wasting (RR = 0.57, 95% CI 0.33-0.97) and underweight (RR = 0.61, 95% CI 0.42-0.88)., Conclusions: These results indicate that functional integration and strengthening of routine antenatal care services including targeted nutritional counselling to expectant mothers can have distal beneficial effects on childhood undernutrition beyond the immediate post-natal period., (© 2024. The Author(s).)

Understanding chemical bonding in second-row diatomics has been central to elucidating the basics of bonding itself. Bond strength and the number of bonds are the two factors that decide the reactivity of molecules. While bond strengths have been theoretically computed accurately and experimentally determined, the number of bonds is a more contentious issue, especially for complicated multi-reference systems like C 2 . We have developed an experimentally verifiable approach to determine bond numbers from excited spin state potential energy surfaces. On applying this to a series of second-row heterodiatomics, we obtain the surprising phenomenon of an inverted charge transfer ionic state after all the ground state bonds are broken via higher spin states. These ionic states are ubiquitous in all heterodiatomics and unexpected in non-metallic systems.

Introduction: Foxtail millet ( Setaria italica L. beauv) is an important crop in underdeveloped countries; however, yield levels are low. The use of varied germplasm in a breeding approach is critical for increasing productivity. Foxtail millet can be cultivated effectively in a wide range of environmental circumstances but it is best suited to hot and dry climates., Methods: In the current study, multivariant traits were used to define 50 genotypes in the first year and 10 genotypes in the second year. The phenotypic correlations among all traits in the entire germplasm were assessed, and the data acquired for all quantitative characters were subjected to analysis of variance for augmented block design. Furthermore, WINDOWS STAT statistical software was used to carry out a principal component analysis (PCA). The presence of substantial variations in most symptoms was shown by analysis of variance., Results: Genotypic coefficient of variation (GCV) projections for grain yields were the highest, followed by panicle lengths and biological yields. Plant height and leaf length had the highest PCV estimates, followed by leaf width. Low GCV and phenotypic coefficient of variation (PCV) were measured as leaf length and 50% flowering in days. According to the PCV study, direct selection based on characters, panicle weight, test weight, and straw weight had a high and positive effect on grain yield per plant in both the rainy and summer seasons, indicating the true relationship between these characters and grain yield per plant, which aids indirect selection for these traits and thus improves grain yield per plant. Variability in foxtail millet germplasm enables plant breeders to effectively select appropriate donor lines for foxtail millet genetic improvement., Discussion: Based on the average performance of genotypes considered superior in terms of grain yield components under Prayagraj agroclimatic conditions, the best five genotypes were: Kangni-7 (GS62), Kangni-1 (G5-14), Kangni-6 (GS-55), Kangni-5 (GS-389), and Kangni-4 (GS-368)., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2023 Singh, Lawrence, Marker, Bhattacharjee, Lawrence, Choudhary, Ercisli and Karunakaran.)

Background: Extremely low birth weight (ELBW) infants have significant morbidities and higher mortality. The major morbidities are bronchopulmonary dysplasia (BPD), intraventricular hemorrhage (IVH) and retinopathy of prematurity (ROP). Release of proinflammatory cytokines has been implicated in the development of systemic inflammation that contributes to BPD aND ROP. Also, cumulative oxygen exposure in the first 3 days of life and use of mechanical ventilation was associated with 3-fold increase in severe IVH. Therefore, early ventilation and oxygenation may contribute significantly to morbidities in ELBW infants. Respiratory severity score (RSS), a product of Mean airway pressure (MAP) and FiO2, is a steady-state noninvasive assessment tool useful in infants to monitor the severity of respiratory failure. We used RSS, in the first 3 days of life of ELBW infants, to predict neonatal morbidities and mortality., Study Design: In a single-center retrospective cohort study in an urban setting, convenience sampling of ELBW infants meeting the study criteria who were mechanically ventilated at birth for the first 3 days of life were included. Time-weighted average RSS was plotted on receiver-operating characteristic (ROC) curve in the first 3 days of life to predict outcomes. Sensitivity, specificity, positive predictive value, negative predictive value and likelihood ratios were calculated., Results: A total of 69 infants qualified for the study. RSS in the first 3 days significantly predicted the composite outcome of death, ROP, IVH or BPD with an area under the curve (AUC) of 0.82 ( p  < 0.001). Individually, RSS predicted death, severe ROP and IVH with an AUC of 0.86, 0.77 and 0.71 respectively; but did not predict severe BPD (AUC 0.61). RSS was more sensitive and specific than each of its component; FiO 2 and MAP. Weighted RSS in the first 3 days had high-negative predictive value of 98.1% for death between 7 days and 36 weeks, 94.6% for ROP and 91.7% for IVH., Conclusions: This study is the first to show that RSS in the first 3 days of life is a good predictor of composite neonatal outcomes: severe IVH, BPD, ROP, or mortality. Early RSS had a high positive predictive value for the composite outcome of morbidities/mortality and a high specificity for mortality, ROP, and IVH individually.

Background: Advances in surgical techniques to tackle critical congenital heart diseases (CHD) have enhanced the survival rates and life expectancy of children born with heart disease. Studies to better acknowledge their neurodevelopmental trajectory have paramount implications., Objective: The aim of this study is to examine the nature of brain MRI findings in infants born with critical congenital heart diseases needing intervention in the first 6 months of life, with the help of an MRI scoring system and correlation with long term neurodevelopmental outcomes., Methods: Brain MRI scans of eligible infants were extracted from database, reexamined to categorize, and score them into three main functional areas: cognitive/grey matter, motor/white matter, and visual. The scoring system also included stage of myelination and presence of punctate hemorrhages. The correlation of individual and total MRI scores with neurodevelopmental assessment using Bayley Scales for Infant and Toddler Development- version 3 (BSID III) were examined via logistic regression models while controlling for confounding variables., Result: Median (IQR) MRI score was 6 (4-7) with grey matter score of 2 (1-4). Initial BSID III scores were 80 ± 15, 80 ± 18, and 81 ± 19 for cognitive, motor and language components, respectively. The MRI cognitive score had direct correlation with respiratory index prior to surgery (cc = 0.47, p = 0.03) and cross-clamping time (cc = 0.65, p = 0.001). It displayed a significant inverse correlation with language scores for BSID III at 9 months (R = -0.42, p = 0.04) which lost significance in subsequent visits., Conclusion: This pilot study proved the feasibility of correlating structural brain abnormalities in MRI with later brain developmental deficits in infants with CHD. We envision establishing a standardized MRI scoring system to be performed on a large multi-center cohort that would help better predict and measure brain injury in infants with CHDs., (Copyright © 2022 Elsevier B.V. All rights reserved.)

Hydrogen storage is an indispensable component of hydrogen-based fuel economy. Chemical hydrogen storage relies on the development of lightweight compounds which can deliver high weight percentage of H 2 at moderate temperatures through dehydrogenation and can be recovered from the dehydrogenated mass by hydrogenation for reuse. In this feature article we primarily discuss the mechanistic underpinnings of the catalytic dehydrogenation of ammonia-borane, a potential candidate for hydrogen storage and the challenges associated with its regeneration from the dehydrogenated mass. Moreover, we highlight the mechanistic intricacies, viability, sustainability and unresolved issues of allied chemical hydrogen storage avenues such as the CH 3 OH-CO 2 cycle.

Competing Interests: Competing interests: The authors completed the ICMJE Declaration of Interest Form (available upon request from the corresponding author), and declare no conflicts of interest.

Highly efficient persistent (lifetime > 0.1 s) room-temperature phosphorescence ( p RTP) chromophores are important for futuristic high-resolution afterglow imaging for state-of-the-art security, analytical, and bioimaging applications. Suppression of the radiationless transition from the lowest triplet excited state (T 1 ) of the chromophores is a critical factor to access the high RTP yield and RTP lifetime for desirable p RTP. Logical explanations for factor suppression based on chemical structures have not been reported. Here we clarify a strategy to reduce the radiationless transition from T 1 based on chemical backbones and yield a simultaneous high RTP yield and high RTP lifetime. Yellow phosphorescence chromophores that contain a coronene backbone were synthesized and compared with yellow phosphorescent naphthalene. One of the designed coronene derivatives reached a RTP yield of 35%, which is the best value for chromophores with a RTP lifetime of 2 s. The optically measured rate constant of a radiationless transition from T 1 was correlated precisely with a multiplication of vibrational spin-orbit coupling (SOC) at a T 1 geometry and with the Franck-Condon chromophore factor. The agreement between the experimental and theoretical results confirmed that the extended two-dimensional fused structure in the coronene backbone contributes to a decrease in vibrational SOC and Franck-Condon factor between T 1 and the ground state to decrease the radiationless transition. A resolution-tunable afterglow that depends on excitation intensity for anticounterfeit technology was demonstrated, and the resultant chromophores with a high RTP yield and high RTP lifetime were ideal for largely changing the resolution using weak excitation light., Competing Interests: The authors declare no competing financial interest., (© 2021 The Authors. Published by American Chemical Society.)

The radiationless transition rate based on intramolecular vibrations from the lowest excited triplet state (T 1 ) at room temperature [ k nr (RT)] is crucial for triplet energy harvesting in optoelectronics and photonics applications. Although a decrease of k nr (RT) of chromophores with strong intermolecular interactions is often proposed, scientific evidence for this has not been reported. Here we report a method to predict k nr (RT). We optically estimated k nr (RT) of various molecularly dispersed chromophores with a variety of transition characteristics from T 1 to the ground state (S 0 ) under appropriate inert liquid or solid host conditions. Spin-orbit coupling (SOC) without considering molecular vibrations was not correlated with the estimated k nr (RT). However, the estimated k nr (RT) was strongly correlated with a multiplication of SOC considering vibrations freely allowed at room temperature and the Franck-Condon factor. This correlation revealed that k nr (RT) of many heavy-atom-free chromophores with a visible T 1 -S 0 transition energy and local excited T 1 -S 0 transition characteristics is intrinsically less than 10 0 s -1 even when vibrations freely occur. This information will assist researchers to appropriately design materials without limitations regarding intermolecular interactions to control T 1 lifetime at room temperature and facilitate triplet energy harvesting.

We report a novel material containing a rare metal-free dopant chromophore with controlled electronic symmetry, which exhibits strong optical limiting (OL) capabilities under weak, continuous, sky-blue irradiance. Electron-donating substituents at positions C2 and C7 of pyrene allow significant triplet generation because of the symmetrically forbidden transition between the ground state and the lowest singlet excited state, which leads to accumulation of triplet excitons in the dopant chromophore. This also leads to a small ground state absorption coefficient and induces greater absorption of sky-blue wavelengths when triplet excitons of the chromophore accumulate. Consequently, molecular glass doped with the designed chromophore displays stronger OL characteristics compared with those of the rare element-containing glass that previously demonstrated the greatest OL performance under continuous sky-blue irradiance at sunlight power levels. The described approach to developing cost-effective, state-of-the-art OL materials is crucial for nonlinear optical applications working at a large scale under sunlight or room lights.

Persistent (lifetime > 100 ms) room-temperature phosphorescence (pRTP) is important for state-of-the-art security and bioimaging applications. An unclear relationship between chromophores and physical parameters relating to pRTP has prevented obtaining an RTP yield of over 50% and a lifetime over 1 s. Here highly efficient pRTP is reported under ambient conditions from heavy atom-free chromophores. A heavy atom-free aromatic core substituted with a long-conjugated amino group considerably accelerates the phosphorescence rate independent of the intramolecular vibration-based nonradiative rate from the lowest excited triplet state. One of the designed heavy atom-free dopant chromophores presents an RTP yield of 50% with a lifetime of 1 s under ambient conditions. The afterglow brightness under strong excitation is at least 10 4 times stronger than that of conventional long-persistent luminescence emitters. Here it is shown that highly efficient pRTP materials allow for high-resolution gated emission with a size of the diffraction limit using small-scale and low-cost photodetectors., (© 2020 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

The question of quadruple bonding in C 2 has emerged as a hot button issue, with opinions sharply divided between the practitioners of Valence Bond (VB) and Molecular Orbital (MO) theory. Here, we have systematically studied the Potential Energy Curves (PECs) of low lying high spin sigma states of C 2 , N 2 , Be 2 and HC[triple bond, length as m-dash]CH using several MO based techniques such as CASSCF, RASSCF and MRCI. The analyses of the PECs for the 2 S +1 Σ g/u (with 2 S + 1 = 1, 3, 5, 7, 9) states of C 2 and comparisons with those of relevant dimers and the respective wavefunctions were conducted. We contend that unlike in the case of N 2 and HC[triple bond, length as m-dash]CH, the presence of a deep minimum in the 7 Σ + state of C 2 and CN + suggests a latent quadruple bonding nature in these two dimers. Our investigations reveal that the number of bonds in the ground state can be determined for 2 nd row dimers by figuring out at what value of spin symmetry a purely dissociative PEC is obtained. For N 2 and HC[triple bond, length as m-dash]CH the purely dissociative PEC appears for the septet spin symmetry as compared to that for the nonet in C 2 . This is indicative of a higher number of bonds between the two 2 nd row atoms in C 2 as compared to those of N 2 and HC[triple bond, length as m-dash]CH. Hence, we have struck a reconciliatory note between the MO and VB approaches. The evidence provided by us can be experimentally verified, thus providing the window so that the narrative can move beyond theoretical conjectures., (This journal is © The Royal Society of Chemistry 2020.)

Metal-free catalysis by sterically encumbered Lewis Acid-Base pairs, popularly known as frustrated Lewis pairs ( FLPs ), is gaining importance by the day due to its promise of providing a greener alternative to transition-metal-based catalysis. One of the stumbling blocks in achieving catalytic dehydrogenation of amine-boranes is catalyst deactivation by the reaction product. Herein, we have theoretically investigated the routes of a dimethylxanthene-derived B,P- FLP -catalyzed dehydrogenation of dimethylamine-borane (DMAB) , a rare instance which avoids catalyst inhibition by the reaction product. Our computational findings reveal that the dehydrogenation proceeds via formation of the ion pair [FLP-H] - and [HMe 2 N-BH 2 -H-BH 2 -NMe 2 H] + . This step is followed by indirect B-H activation assisted by a second DMAB molecule and further H 2 release via deprotonation by the PPh 2 center. It is revealed that the binding of NMe 2 BH 2 to the FLP is unfavorable which ensures smooth propagation of the catalytic cycle. Catalytic dehydrogenation by the same mechanistic pathway is somewhat inhibited in the case of ammonia-borane by the same FLP due to the latent stabilization provided by strong hydrogen bonding interaction to FLP-NH 2 BH 2 adduct which renders partial deactivation of the catalyst.

Botanicals have been cultured to flavour food, to treat health disorders and to put a stop to diseases caused by various microorganisms. The awareness of curative features of different medicinal plants has been spread among human communities. The application of herbal products as antimicrobial agents may be a better choice for the extensive and imprudent use of synthetic antibiotics. World Health Organization recommended traditional medicines as the safest remedies for the treatment of diseases of microbial origin. The plant extracts are generally nonhazardous, available in plenty at reasonable prices, biodegradable, eco-friendly and sometimes show broad-spectrum activities against different microorganisms. The current knowledge on plant extracts, phytochemicals and their antibacterial activity, target specific mechanism of action, solvents deployed during extraction, properties of an active ingredient isolated may help in biological control of bacteria. Antimicrobial properties of different plant parts, which act in a low dose, have been organised separately for easy understanding., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

The objective of this study was to evaluate the effect of 2 different doses of vitamin D on the expression of T regulatory cells (Treg) in premature infants. A double-blind randomized controlled trial was conducted on preterm infants born with gestational age between 28 and 33 weeks. Subjects were randomly assigned to receive 400 or 800 IU/day of vitamin D3 when they achieved 100 mL/kg of enteral feeds. Percentage increase in Treg cell counts were measured by flow cytometry at enrollment, and after 1 and 4 weeks of oral vitamin D supplementation at the allotted doses in both groups. Short-term morbidity and mortality outcomes were also assessed. A total of 40 infants were enrolled, 20 in each group. The change in Treg count (%) was significantly less in the low-dose vitamin D3 supplementation group after 1 week (1.9 ± 5.5 vs 60 ± 5.6, P = 0.0005) and after 4 weeks (1.8 ± 5.7 vs 73.7 ± 5.6, P = 0.0028). The 2 groups did not differ in anthropometric measurements, duration of oxygen and respiratory support, and mortality. Length of hospital stay was longer in the low-dose group (24.9 ± 5.14 vs 22 ± 3.49, P = 0.04). Oral vitamin D supplementation has a dose and time dependent effect on percentage of Treg in infants born prematurely. The 800 IU dose of vitamin D3 did not have apparent short-term side effects. Larger studies are needed to explore the effect of vitamin D3 dosing on length of hospital stay.

Objective: The objective of this study is to compare glomerular and tubular functions in small for gestational age (SGA) and appropriate for gestational age (AGA) preterm infants., Study Design: A prospective controlled study was conducted on SGA and AGA infants with gestational ages between 32 0/7 and 36 6/7 weeks, who received gentamycin in the first 72 h of life. Glomerular and tubular functions were assessed on days 1 and 5., Results: Fifty (25 SGA and 25 AGA) infants were included. On day of life 1, SGA group had higher serum sodium, serum urea, and urinary creatinine. On day 5, SGA infants had significant increase in serum creatinine (p = 0.04). Urinary NAG and FeNa were comparable among the two groups on days 1 and 5., Conclusions: Glomerular functions were compromised in SGA preterm infants. Tubular functions were comparable.

Objective: To evaluate biochemical and clinical effects of 2 different doses of vitamin D supplementation in preterm infants with late-onset sepsis (LOS)., Study Design: A double blinded randomized controlled stratified trial included preterm infants with gestational age (GA) ≥28 weeks with LOS. Subjects were randomly assigned to receive 400 or 800 IU/day of vitamin D3. Serum concentrations of 25(OH)D, TNF-α, and IL-6 were measured at enrollment, 7 days after vitamin D supplementation, and at 40 weeks of postmenstrual age (PMA). Short-term outcomes and growth parameters were assessed., Results: A total of 50 infants were enrolled, 25 in each group. Seventy-six percentage of enrolled infants were vitamin D-deficient at enrollment in both groups whereas only one infant in the 400 IU and none in the 800 IU group remained deficient at 40 week's PMA; vitamin D concentrations at 40 weeks PMA were 54.8 ± 35.1 and 67.4 ± 37.1 ng/mL, respectively, P = 0.01). None of the infants enrolled in the study had signs of vitamin D toxicity. Serum pro-inflammatory cytokines IL-6 and TNF- α concentrations decreased at 1 week and at discharge in both groups without differences between groups. The 2 groups did not differ in anthropometric measurements, duration of oxygen and respiratory support, duration of antimicrobial use, length of hospital stay, and mortality., Conclusions: A dose of 400 IU of vitamin D was adequate to treat vitamin D deficiency in the majority of premature infants with LOS. The 2 dosing regimens did not differ in clinical or biochemical changes.

The influences of naphthyl and/or phenyl rings at the 2,4-positions of the quinolinyl fragments in carbazole-quinoline conjugates are studied. The centric phase of one of the conjugates (β-CQNN) revealed both thermally activated delayed fluorescence (TADF) and room-temperature phosphorescence (RTP), while prompt fluorescence and RTP were observed in the non-centric phase (α-CQNN) that can regenerate the emission features of β-CQNNvia mechanical grinding. This unique observation is explained by the modulation of the higher-lying triplet (T2) energy level caused by conformational change.

The present study was carried out to establish the hypolipidemic effect of a phyto-steroid compound isolated from the chloroform: methanol extract of fresh mature leaves of the plant Cestrum diurnum (Solanaceae: Solanales). Change in the haematological parameters was studied in normocholesterolemic albino rats after oral administration of single dose of isolated phytosteroid (2 mg/ day) up to 15 days and compared with control rats. Application of phytosteroid fraction resulted in a significant reduction in total plasma cholesterol and free cholesterol levels. The plasma triglyceride levels also decreased significantly. A sharp increase in the HDL cholesterol level and a significant decrease in the LDL and VLDL amount were also documented. Free fatty acid level was significantly low in treated rats.

Objectives: This study assessed the predatory potentiality of two unexplored fishes, Puntius tetrazona and Hyphessobrycon rosaceus on Culex vishnui subgroup larvae in order to utilize natural resources to diminish mosquito population. Larval feeding rate was evaluated in laboratory under varying prey density and volume of water. The experiment was extended to semi field condition., Results: Puntius tetrazona and H. rosaceus consumed from 66 to 600 and from 87 to 718 Cx. vishnui larvae respectively in laboratory condition at 10 prey density levels (100-1000 larvae) at an increment of 100 larvae at 2 l water volume. In semi field condition, a 78% reduction in larval density was observed at day 30 post introduction of P. tetrazona, whereas 91% reduction was noted on day 21 for H. rosaceus and in the subsequent samples no mosquito larvae were found in ditches. Withdrawal of predators from the ditches resulted gradual increase in larval density. Laboratory and semi field bioassay of both the species indicated their potentiality as efficient mosquito larval predator though H. rosaceus exhibited better performance than P. tetrazona. It is recommended to utilize these natural resources to diminish mosquito population in the countries of their native range.

Purely organic biluminescent materials are of great interest due to the involvement of both singlet and long-lived triplet emissions, which have been rarely reported in bioimaging and organic light-emitting diodes. We show two molecules 3,4,5,6-tetraphenyloxy-phthalonitrile (POP) and 3,4,5,6-tetrakis- p-tolyloxy-phthalonitrile (TOP), in which POP was found to exhibit fluorescence and persistent room-temperature green phosphorescence (pRTGP) in the amorphous powder and crystal states. Both POP and TOP show aggregation-induced emission in a tetrahydrofuran-water mixture. We found in single-crystal X-ray analysis that intra- and intermolecular lp(O)···π interactions along with π(C = C)···π(C≡N), hydrogen bond (H-B), and C-H···π interactions induce a head-to-tail slipped-stack arrangement in POP. In addition, the X-ray structure of TOP with a slipped-stack arrangement induced by only π(C═C)···π(C≡N) and H-B interactions shows dim afterglow only in crystals. These indicate that more noncovalent interactions found in POP may reinforce relatively efficient intersystem crossing that leads to pRTGP. Given the unique green afterglow feature in amorphous powder of POP, document security protection application is achievable.

The emergence of single-component organic dual light emitters holds great promise for white light-emitting diodes (WLEDs) and biological detection due to the involvement of broad emission covering visible spectrum. Here we show experimental studies on dual emission of carbazole-quinoline conjugate (CQ) that exhibits both thermally activated delayed fluorescence (TADF) via reverse intersystem crossing (r ISC) from the higher-lying triplet state ( T 2 ) to the singlet state ( S 1 ) and room-temperature phosphorescence (RTP) from the lowest triplet state ( T 1 ) due to low energy gap between T 2 and S 1 , and energetic proximity of T 1 with T 2 . We found in thermal effect that the intensity of the dual features is enhanced with increasing temperatures up to 100 °C, which can be explained by a thermal-induced structural change (TISC) mechanism that compensates the emission losses due to nonradiative transitions at elevated temperatures. This property, in addition to its enhanced TADF and phosphorescence decay rates (∼10 7 s -1 and 10 1 s -1 ) at 100 °C, would have great promise for high-efficiency LEDs.

Achieving synthetic control over light-driven molecular dynamics is essential for designing complex molecule-based devices. Here we design a novel coumarin-imidazole conjugate (1) whose excited state structural dynamics are primarily controlled by a distant intramolecular H-bonding interaction within the backbone. The coumarin conjugate is based on a 1,2,4,5-aryl substituted imidazole framework (aryl = -Ph and -PhOH) covalently connected to the coumarin moiety via a C-N bond. A carefully positioned OH group in the aryl part of the imidazole fragment resulted in achieving two dissimilar O-HN and O-HO distal intramolecular hydrogen bonding interactions. NMR studies in conjunction with density functional theory (DFT) at the B3LYP/6-311G(d,p) level of theory show the existence of two ground state conformers with a rotational barrier of 6.12 kcal mol -1 . Due to the presence of conformational isomers of 1, the local excited state dynamics of the parent coumarin get biased towards a long-lived fluorescence state with diminished non-radiative decay channels. Time-resolved emission studies show an ∼4-5 times increase in the excited state lifetime in 1 when compared to coumarin-imidazole conjugates, 2 and 3, without the OH group. Solvent dependent studies show that solvent polarity, the H-bond donating ability and viscosity dictate the conformational distribution in the ground state and the dynamical evolution to the final emissive state. Our studies highlight the importance of rotamerism around the C1-C4 single bond, which leads to rigidification along the coumarin-imidazole backbone through a combination of distal H-bonding and solvent interactions. The concept of new emission signaling pathways caused by conformational switching between two states offers a new paradigm to introduce functional allostery in macromolecular backbones.

Rapid economic and industrial growths imposed significant impact on human health including the pulmonary health. Questions were raised regarding the validity of the existing prediction norms of pulmonary function tests (PFTs) in a particular population. The present study was conducted to investigate the applicability of the existing norms for PFTs in young healthy non-smoking female university students of Kolkata, India. Significant difference was noted in vital capacity (VC), forced vital capacity (FVC), and forced expiratory volume in 1 s (FEV 1 ) when the present data were compared with the earlier study in similar population. Correlation statistic revealed significant relationship of age and body height with all the PFT parameters. Body mass had significant correlation with VC, FVC, FEV 1 as a percentage of FVC (FEV 1% ), and peak expiratory flow rate (PEFR). Regression equations have been computed for predicting PFTs from age and body height. There has been a change of PFTs in the studied population for the last couple of decades due to increased environmental pollution in the course of economical and industrial developments. Regression equations computed in this study are not only recommended to predict PFT parameters in the studied population, but they are also considered more reliable owing to their substantially smaller standard error of estimate than those proposed in the previous study.

Background: Pulmonary function tests (PFTs) need to be revisited in light of rapid economic growth and industrial development. Questions have been raised about the validity of existing population-specific norms for predicting PFTs, and therefore, the present study aimed to determine the applicability of existing norms for PFTs in young healthy non-smoking male university students of Kolkata., Methods: PFTs were carried out for 87 non-smoking male university students who were randomly sampled from the University of Calcutta, Kolkata, India., Results: The PFTs data obtained in this study did not show a significant variation with that obtained in a previous study. Significant (P < 0.001) differences in the forced expiratory volume in 1 s (FEV1%) and peak expiratory flow rate (PEFR) between the two studies may be attributed to differences in the age and body height, which exhibited significant correlations with the vital capacity (VC), forced vital capacity (FVC), FEV1, FEV1%, and PEFR. Regression equations have been computed to predict PFTs parameters from age and body height., Conclusion: Pulmonary function in the university students of Kolkata was found to have remained mostly unchanged in the last 24 years. The equations computed in this study are considered preferable owing to their substantially smaller standard error of estimate (SEE) than those proposed in the previous study.

Objective: To establish the nature and extent of dual dengue and malaria infections in an endemic area through a longitudinal study., Methods: A prospective study was conducted from August 2005 to December 2010 to document the nature and extent of concurrent dengue and malaria infections in an area in central Kolkata, endemic both for dengue and malaria., Results: Of 2 971 suspected cases of dengue fever, in 605 (20.36%) persons dengue infection was detected, of whom 46 (7.60%, 46/605) patients (40 and 6 suffered from secondary and primary dengue fever respectively) were simultaneously suffering from malaria (28 and 18 were infected with Plasmodium vivax (P.vivax) and Plasmodium falciparum (P. falciparum) respectively, such dual infections of dengue and malaria were detected in all the years of the study period, except 2007, indicating intense transmission of both dengue and malaria in the study area, and the phenomenon was not an isolated one, the rate of concomitant infections ranged from 25% in 2009 to 4.9% in 2005. Out of total population surveyed, 1.54% (46/2 971) had concurrent dengue and malaria infection., Conclusions: These findings added a new dimension in diagnosis, treatment, epidemiology and control of dengue and malaria. The possible risk of concurrent dengue and malaria infections should always be kept in mind in endemic areas for early diagnosis employing modern technology and prompt and effective treatment to avoid serious complications., (Copyright © 2012 Hainan Medical College. Published by Elsevier B.V. All rights reserved.)

Objective: The column chromatographic fraction of ethyl acetate (EA1, EA2, EA3, EA4 and EA5) leaf extracts of Vangueria spinosa (V. spinosa) were screened for antibacterial activity and phytochemical analysis., Methods: EA3 fraction was isolated and identified by column chromatography, thin layer chromatography, spectral data analysis and phytochemical screening were used for analysis., Results: EA3 fraction was significantly active at 4 to 64 mg/L against Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa with minimum inhibitory concentration of 1.5625 to 3.1250 mg/mL. The active fraction (EA3) revealed the presence of flavonoid with retention factor value (R(f)) of 0.39. The active antibacterial agent in the most potent fraction (EA3) was isolated and identified as flavonoid (-)-epicatechin-3-O-β-glucopyranoside by thin layer chromatography (TLC) and phytochemical screening. EA1 and EA2 show inhibitory activity at 4 to 64 mg/L against Staphylococcus aureus only where as fraction EA4 and EA5 do not shows any inhibitory activity within that range of concentration against any bacteria., Conclusions: The results support the ethnomedicinal use of leaf of V. spinosa for the treatment of bacterial diseases., (Copyright © 2011 Hainan Medical College. Published by Elsevier B.V. All rights reserved.)

An n-hexane extract of fresh, mature leaves of Argemone mexicana (Papaveraceae), containing thin-layer epicuticular waxes, has been analysed for the first time by TLC, IR and GLC using standard hydrocarbons. Seventeen long-chain alkanes (n-C18 to n-C34) were identified and quantified. Nonacosane (n-C29) was established as the n-alkane with the highest amount, whilst octadecane (n-C19) was the least abundant component of the extracted wax fraction. The carbon preference index (CPI) calculated for the hydrocarbon sample with the chain lengths between C18 and C34 was 1.2469, showing an odd to even carbon number predominance.

An n-hexane extract of fresh, mature leaves of Cestrum nocturnum (Solanales: Solanaceae) containing thin layer epicuticular waxes was analysed by thin-layer chromatography, infrared and gas liquid chromatography using standard hydrocarbons. Seventeen long chain alkanes (n-C(18) to n-C(34)) were identified and quantified. Hentriacontane (n-C(31)) was established as the major n-alkane, while nonadecane (n-C(19)) was the least abundant component of the extracted wax fraction. The carbon preference index calculated for the sample was 1.30, showing an odd to even carbon number predominance.

Anopheles subpictus is a complex of four isomorphic sibling species A, B, C and D and is recognized as a primary vector of malaria, a disease of great socio-economic importance, in Australasian Zone, Celebes, Portuguese Timor and South East Asia and a secondary vector in Sri Lanka. This species is also a vector of some helminth and arboviruses. This species has been reported so far from nineteen countries of the Oriental and Australasian Zones. An. subpictus complex is the most abundant anopheline in most parts of the Indian subcontinent, with a widespread distribution eastwards and southwards to Papua New Guinea, westwards to Iran and northwards to China. Resistance to insecticide is alarming in many parts of the world. Different aspects of this important mosquito species including attempts related to its control have been discussed which will be highly useful to carry out further research., (2010 Elsevier B.V. All rights reserved.)

An assessment on the water quality parameters coliform including the bacterial abundance from a point source of river Damodar (24 degrees 26(') N and 86 degrees 53(') E), West Bengal, India was carried out during the period of 2004-2007. The site received mining and industrial effluents from the collieries and industries. The water samples collected on a monthly basis revealed the presence of the coliform bacteria Escherichia coli and Streptococcus sp., between 2,600 and 20,000 colony-forming unit/100 ml throughout the study period with peak abundance during the months of September to December, the post-monsoon period. The relative abundance of the two bacterial species was found to be y(E. coli) = 1.41x (Streptococcus) - 8.07 and were positively correlated (r = + 0.868, df = 34). Principal component analysis revealed three factors to clarify for the observed variance of the environmental variables. The mean values of the physicochemical parameters of the river water at the sampling sites were consistently higher than the levels specified by WHO and other regulatory bodies and qualify as polluted water. The presence of the coliform bacteria in these water samples warrants for proper measure to reduce the pollution at the point source and proper remediation strategies to combat contamination in the domestic water usage from river Damodar from this site and downstream.

Background & Objectives: The in vitro antibacterial activity of ethanolic leaf extract of Vangueria spinosa Roxb. (Rubiaceae) alone and in combination with antibiotics (doxycycline and ofloxacin) by means of fractional inhibitory concentration indices (FICI) as well as by the use of time-kill assays against one Gram-positive bacterium (Staphylococcus aureus) and three Gram-negative bacteria (Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa) was studied., Methods: Antibacterial activity was assayed by using the microdilution method. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were determined for the ethanolic leaf extract of V. spinosa alone and also in combination with antibiotics using the fractional inhibitory concentration (FIC) and time-kill assay method. Synergism was also tested using checker board dilution method., Results: MIC/MBC values for ethanolic leaf extract of V. spinosa against all the tested bacteria ranged between 25.5-52.6/22.4-60.5 microg/ml, for doxycycline 4.0/4.0-4.5 microg/ml and for ofloxacin 0.625-2.5/1. 25-5.0 microg/ml respectively. The average log reduction in viable cell count in time-kill assay ranged between 2.4 log(10)-4.5 log(10) cfu/ml after 1 h of interaction and between 3.9 log(10)-5.0 log(10) cfu/ml after 3 h interaction in 1 x MIC to 4 x MIC. When leaf extract and antibiotics were combined, the average log reduction in viable cell count for doxycycline from 1.5 log(10)-5.18 log(10) cfu/ml and for ofloxacin 3.06 log(10)-5.39 log(10) cfu/ml. Synergistic actions were observed in all the cases except against P. aeruginosa which showed an additive effect for ofloxacin and plant extract combination., Interpretation & Conclusion: This study provides a preliminary report of synergistic activity of V. spinosa Roxb, ethanolic leaf extract with antibiotics.

There is growing of the effects of insecticide used controlling the vectors of human diseases. Manipulating or introducing an auto-reproducing predator into the ecosystem may provide sustained biological control of pest populations. The selection of a biological agent should be based on its self-replicating capacity, preference for the target pest population in the presence of alternate natural prey, adaptability to the introduced environment, and overall interaction with indigenous organisms. In order to achieve an acceptable range of control, a sound knowledge of various attributes of interactions between the pest population and the predator to be introduced is desirable. Biological larviciding for the control of mosquito borne diseases is feasible and effective only when breeding sites are relatively few or are easily identified and treated. Larval control appears to be promising in urban areas, given that the density of humans needing protection is higher than the limited number of breeding sites. Since 1937, fish have been employed for controlling mosquito larvae. Different types of fish have been used so far in this operational technique. However, use of fish of indigenous origin is found to be more appropriate in this operation. This review presents information on different larvivorous fish species and the present status of their use in mosquito control and provides a ready reference for workers involved and interested in mosquito research.

The sensitivity of two Gram positive (Staphylococcus aureus and Bacillus subtilis) and two Gram negative (Escherichia coli and Pseudomonas aeruginosa) pathogenic multi-drug resistant bacteria was tested against the crude extracts (cold aqueous, hot aqueous, and methanol extracts) of leaves and seeds of Argemone mexicana L. (Papaveraceae) by agar well diffusion method. Though all the extracts were found effective, yet the methanol extract showed maximum inhibition against the test microorganisms followed by hot aqueous extract and cold aqueous extract.