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Introduction: Diabetic patients had been proved to have thicker corneas and are commonly associated with primary open-angle glaucoma. Diabetic people have two times increased chance of developing glaucoma compared with non-diabetics. Objective: To compare the central corneal thickness of type II Diabetes Mellitus patients with age and gender matched healthy subjects and relation of central corneal thickness and intraocular pressure in diabetic type II patients. Materials and method: This Institution based cross sectional comparative study was conducted in Regional Institute of Ophthalmology, Medical College and Hospital, Kolkata. The study period was One and a half year (1 January, 2018 to 30th June, 2019). Four hundred (400) eyes were included in this study. Result: We found that, most of the patients were 51-60 years old and age was significantly associated with both groups. male population was higher than the female population. Sex was not significantly related with both groups. Present study showed that, majority number of patients had Normal fundus in Non-Diabetic Group compared to No DR in Diabetic Group though it was statistically significant. We found that, FBS was significantly higher in Diabetic Group compared to Non-Diabetic Group and we observed that, PPBS was higher in Diabetic Group compared to Non-Diabetic Group. It was found that, HbA1c significantly higher Diabetic Group compared to Non-Diabetic Group. We observed that, CCT was significantly lower in Non-Diabetic Group compared to Diabetic Group. In our study, IOP was slightly higher in Diabetic Group compared to Non-Diabetic Group which was not statistically significant and our study showed that, CCT vs IOP was significantly positive correlation and CCT vs IOP but this was not statistically significant. Conclusion: Type 2 DM patients were found to have significantly thicker cornea n their IOP was found to be higher than no diabetic control. There is a strong positive correlation between CCT and IOP of patients included in our study with Pearson correlation coefficient being .093. [ABSTRACT FROM AUTHOR]

Introduction: Obstructive sleep apnea (OSA) increases sympathetic vasoconstrictor drive and reduces baroreflex sensitivity (BRS), the degree to which blood pressure changes modify cardiac output. Whether nighttime continuous positive airway pressure (CPAP) corrects BRS in the awake state in OSA remains unclear. We assessed spontaneous BRS using non-invasive continuous BP and ECG recordings at rest and during handgrip and Valsalva challenges, maneuvers that increase vasoconstrictor drive with progressively higher BP, in untreated OSA (unOSA), CPAP-treated OSA (cpOSA) and healthy (CON) participants.Methods: In a cross-sectional study of 104 participants, 34 unOSA (age mean±std, 50.6±14.1years; Respiratory Event Index [REI] 21.0±15.3 events/hour; 22male), 31 cpOSA (49.6±14.5years; REI 23.0±14.2 events/hour; 22male; self-report 4+hours/night,5+days/week,6months), and 39 CON (42.2±15.0years; 17male), we calculated BRS at rest and during handgrip and Valsalva. Additionally, we correlated BP variability (BPV) with BRS during these protocols.Results: BRS in unOSA, cpOSA and CON was, respectively (mean±sdv in ms/mmHg), at rest: 14.8±11.8, 15.8±17.0, 16.1±11.3; during handgrip 13.3±7.6, 12.7±8.4, 16.4±8.7; and during Valsalva 12.7±8.0, 11.5±6.6, 15.1±8.9. BRS was lower in cpOSA than CON for handgrip (p=0.04) and Valsalva (p=0.03). BRS was negatively correlated with BPV in unOSA during Valsalva and handgrip for cpOSA, both R=-0.4 (p=0.02). BRS was negatively correlated with OSA severity (levels: none, mild, moderate, severe) at R=-0.2 (p=0.04,n=104).Conclusions: As expected, BRS was lower and BPV higher in OSA during the pressor challenges, and disease severity negatively correlated with BRS. In this cross-sectional study, both CPAP-treated (self-reported) and untreated OSA showed reduced BRS, leaving open whether within-person CPAP improves BRS. [ABSTRACT FROM AUTHOR]

The current study was focused to evaluate the antioxidant and the anti-cancerous properties of Plumeria alba. Plumeria alba was chosen due to its existing medicinal values. Antioxidant assays like Superoxide radical scavenging assay, Nitrous Oxide radical scavenging assay, were performed, on the methanolic and ethyl acetate extracts of the plant, that depicts the pro-oxidant nature of the extract. Further, they were tested to check cell viability on B cell Acute Lymphoblastic Leukemia (ALL) Cell line (NALM 6), human lung cancer cell line (A549), T cell Acute Lymphoblastic Leukemia cell line (MOLT4), and PBMC isolated from normal donors utilizing MTT assay. Robust anti-proliferative activity was observed in the case of NALM 6 followed by A549, MOLT4, whereas negligible activity was observed in the case of PBMC. Intrigued by this finding, in silico docking was performed using three bioactive compounds namely Plumericine, Isoplumericine, and 13-O-p-Coumaroylplumieride, unique to Plumeria sp. They were docked against five different cyclins and Cdk proteins responsible for ALL. The compounds have shown satisfactory results and their druggability and ADMET properties were checked further. Plumercine turned out to be the most competent compound and hence can be considered as a potential leukemic drug candidate in the future. [ABSTRACT FROM AUTHOR]

C60 and C60 based molecules are efficient acceptors and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initio methods, those of solid C60, specifically its optical absorption properties, are not. We present a combined density functional theory–Density Functional Tight Binding (DFTB) study of the effect of solid state packing on the band structure and optical absorption of C60. The valence and conduction band edge energies of solid C60 differ on the order of 0.1 eV from single molecule frontier orbital energies. We show that calculations of optical properties using linear response time dependent-DFT(B) or the imaginary part of the dielectric constant (dipole approximation) can result in unrealistically large redshifts in the presence of intermolecular interactions compared to available experimental data. We show that optical spectra computed from the frequency-dependent real polarizability can better reproduce the effect of C60 aggregation on optical absorption, specifically with a generalized gradient approximation functional, and may be more suited to study effects of molecular aggregation. [ABSTRACT FROM AUTHOR]

Increased resistance and side effects of synthetic pharmaceutical drugs have led to the exploration of bioactive compounds from alternative sources. Therefore, research on drug development from members of natural sources has gained much importance. Lichens are a unique association of fungi and algae, producing a wide array of secondary metabolites which has immense pharmacological activities. Lichen extracts have been used in traditional systems of medicines and are known to cure several diseases. Parmotrema is a large genus of foliose lichen belonging to the family Parmeliaceae. Parmeloid lichens are a diverse and ubiquitous group of lichens. Members of the Parmeliaceae family have been used in several traditional systems of medicines. One hundred and nine articles have been reported till date regarding pharmacological activities of Parmotrema species. Studies reveal that Parmotrema exhibits numerous biological activities ranging from anti-microbial, anti-fungal, anti-oxidative, and anti-proliferative properties. These properties can be attributed to the presence of pharmacologically active compounds like depsides, depsidones, phenolics, polysaccharides, lipids, diphenyl ethers, and dibenzofurans. The free radical scavenging activity and cytotoxicity specifically towards cancer cells infer that this lichen genus can have potential anti-cancer properties and should be extensively investigated for pharmaceutical purposes. This review dealt with the in-depth potentiality of this novel lichen Parmotrema species and its role in pharmacology. [ABSTRACT FROM AUTHOR]

Introduction: Garcinia cowa (Clusiaceae) is popular among integrative medicine in several communities. This study undertook to evaluate the anti-proliferative activity on cancer cells and its cytotoxic effect on normal cells. Here we are reporting for the first time the metabolomic profiling of G. cowa leaf. Methods: Anti-proliferative potential of ethyl acetate and methanol extract of Garcinia cowa leaf assessed by MTT assay. Metabolomic profiling obtained by GC/MS analysis. Nuclear morphology visualized by DAPI staining. Caspase activation analysed through spectrophotometric assay. Results: The study reveals, that the methanolic extract is more potential in inducing anti-proliferative activity than ethyl acetate extract. Robust antiproliferative activity of the methanolic extract evidenced in lung cancer cell line, A549 followed by MCF-7, HepG2, MOLT - 4, MDA-MB-468 cells. The anti-proliferative effect was negligible in normal PBMC. Further, a dose-dependent increase of nuclear fragmentation visualized in A549 cells treated with the methanolic extract. Post methanolic extract treatment upregulation of caspase-3 and caspase-9 also evidenced in A549 cells. GC/MS analysis revealed the presence of phytoconstituents of different phytochemical groups comprising of 3.45% diterpenoid, 5.45% triterpenoid, 11.24% steroid, 2.03% phytosterol, etc. in methanol extract, as well as 4.53% diterpenoid, 2.88% triterpenoid, 1.09% steroid, 2.11% phytosterol, etc. in ethyl acetate extract with considerable biological importance. Conclusion: This is the maiden report of the metabolomic profiling of leaf extracts of Garcinia cowa which possess a good repository of potentially bioactive molecules that holds a great promise as a future therapeutic agent in combating lung cancer. [ABSTRACT FROM AUTHOR]

Study objectives: Brain regulation of autonomic function in obstructive sleep apnea (OSA) is disrupted in a sex-specific manner, including in the insula, which may contribute to several comorbidities. The insular gyri have anatomically distinct functions with respect to autonomic nervous system regulation; yet, OSA exerts little effect on the organization of insular gyral responses to sympathetic components of an autonomic challenge, the Valsalva. We further assessed neural responses of insular gyri in people with OSA to a static handgrip task, which principally involves parasympathetic withdrawal. Methods: We measured insular function with blood oxygen level dependent functional MRI. We studied 48 newly-diagnosed OSA (age mean±std:46.5±9 years; AHI±std:32.6±21.1 events/hour; 36 male) and 63 healthy (47.2±8.8 years;40 male) participants. Subjects performed four 16s handgrips (1 min intervals, 80% subjective maximum strength) during scanning. fMRI time trends from five insular gyri—anterior short (ASG); mid short (MSG); posterior short (PSG); anterior long (ALG); and posterior long (PLG)—were assessed for within-group responses and between-group differences with repeated measures ANOVA (p<0.05) in combined and separate female-male models; age and resting heart-rate (HR) influences were also assessed. Results: Females showed greater right anterior dominance at the ASG, but no differences emerged between OSA and controls in relation to functional organization of the insula in response to handgrip. Males showed greater left anterior dominance at the ASG, but there were also no differences between OSA and controls. The males showed a group difference between OSA and controls only in the ALG. OSA males had lower left activation at the ALG compared to control males. Responses were mostly influenced by HR and age; however, age did not impact the response for right anterior dominance in females. Conclusions: Insular gyri functional responses to handgrip differ in OSA vs controls in a sex-based manner, but only in laterality of one gyrus, suggesting anterior and right-side insular dominance during sympathetic activation but parasympathetic withdrawal is largely intact, despite morphologic injury to the overall structure. [ABSTRACT FROM AUTHOR]

In perinatally HIV-infected (PHIV) children, neurodevelopment occurs in the presence of HIV-infection, and even with combination antiretroviral therapy (cART) the brain can be a reservoir for latent HIV. Consequently, patients often demonstrate long-term cognitive deficits and developmental delay, which may be reflected in altered functional brain activity. Our objective was to examine brain function in PHIV on cART by quantifying the amplitude of low frequency fluctuations (ALFF) and regional homogeneity (ReHo). Further, we studied ALFF and ReHo changes with neuropsychological performance and measures of immune health including CD4 count and viral loads in the HIV-infected youths. We found higher ALFF and ReHo in cerebral white matter in the medial orbital lobe for PHIV (N = 11, age mean ± sd = 22.5 ± 2.9 years) compared to controls (N = 16, age = 22.5 ± 3.0 years), with age and gender as co-variates. Bilateral cerebral white matter showed increased spontaneous regional activity in PHIV compared to healthy controls. No brain regions showed lower ALFF or ReHo in PHIV compared to controls. Higher log10 viral load was associated with higher ALFF and ReHo in PHIV in bilateral cerebral white matter and right cerebral white matter respectively after masking the outcomes intrinsic to the brain regions that showed significantly higher ALFF and ReHo in the PHIV compared to the control. Reductions in social cognition and abstract thinking in PHIV were correlated with higher ALFF at the left cerebral white matter in the left medial orbital gyrus and higher ReHo at the right cerebral white matter in the PHIV patients. Although neuroinflammation and associated neuro repair were not directly measured, the findings support their potential role in PHIV impacting neurodevelopment and cognition. [ABSTRACT FROM AUTHOR]

Objective: Present study aims to evaluate the efficacy of methanolic and ethyl acetate extracts of wild mushroom Phallus sp. on cell proliferation of both normal and cancer cells. This study also looked at anti-oxidant potentiality of methanolic extract and also unravels the phytochemical profiling of both extracts. Methods: Anti-proliferative activity was assessed by MTT assay on different human cancer cell lines such as MCF-7, MOLT-4, REH and Peripheral Blood Mononuclear Cells or PBMC isolated from a healthy donor. Gas Chromatography-Mass Spectrometry (GC-MS) analysis was used for comparative assessment of phytochemical constituents of both extracts. The anti-oxidant profile of methanolic extract was also evaluated by DPPH and ABTS•+ assays. Results: Results indicated that the both methanolic and ethyl acetate extracts of Phallus sp. showed appreciable anti-proliferative activity against breast cancer cell line MCF-7 with IC50 of 8.544±2.812 µg/mL and 35.279±2.863 µg/mL respectively. Both of the extracts also showed its moderate impact on human B cell precursor leukemia cell line (REH) with IC50 of 25.987±2.696 µg/mL for methanol and 51.484±1.480 µg/mL for ethyl acetate extract respectively. No effect was observed in MOLT-4 cell line. Methanolic extract was selected as better anti cancer extract over ethyl acetate extract. No significant anti-proliferative activity was observed in normal PBMC by both extracts. GC-MS analysis indicated that 43 and 114 compounds were identified from methanolic and ethyl acetate extracts respectively. Among them nine compounds shared its existence in both of the extracts. Different derivatives of ergosterol and several fatty acid esters ware identified as major components from both of the extracts. Methanolic extracts of the Phallus sp. showed its effectiveness on both of DPPH and ABTS•+ free radical, and result indicated that it contain more flavonoid content than phenol. Conclusion: The methanolic extract of Phallus sp. show very specific anti-proliferative effect on MCF-7 with moderate anti-oxidant activity and holds a great promise for isolation of bio molecules for treating Breast Cancer. Several derivatives of ergosterol identified as probable anti-cancer compound. [ABSTRACT FROM AUTHOR]

Azadirachta indica, popularly known as 'Neem', is an important plant in the Ayurveda system of medicine. It is known to prevent about at least 40 types of diseases in home-practice. A previous report showed that the methanolic extract of this plant can effectively control proliferation of leukemia cells. Here, we explored the eEthanolic extract dried neem leaves for a new molecule with potent anti-leukemic property. Four biomolecules were isolated viz. rutin, isoquercetin, quercetrin and ß- sitosterol-3-O-β-D-glucoside from the ethanolic extract by repeated column chromatography and HPLC.Quercetrin structures of the isolated molecules were confirmed by Mass, ¹HNMR, 13C NMR spectra analysis. MTT assay revealed that β-sitosterol-3-O-β-D-glucosideeffectively reduced the proliferation of MOLT 4 leukemic cells in a dose and time dependent manner. DAPI staining with confocal microscopy indicated that β-sitosterol-3-O-β-D-glucoside efficiently induced nuclear DNA fragmentation in MOLT 4 cells. Finally, flow cytometry after PI staining showed that the compound has potential to check the cell cycle progression at sub G1 phase. With the available results, it can be concluded that β-sitosterol-3-O-β-Dglucoside has potential to be good therapeutic drug in leukemia treatment. [ABSTRACT FROM AUTHOR]

Objective: This study aims to quantify the anti-oxidant activity of the methanolic extract of Macrocybe crassa and its anti-proliferative activity on normal and cancer cells. Methods: The anti-oxidant potential of the extract was determined by several in vitro assay system like DPPH radical scavenging activity, superoxide anion scavenging activity, percentage inhibition of lipid peroxidation and nitric oxide (NO) scavenging activity. Anti-proliferative activity was tested by MTT assay on breast cancer cell line MCF7, Human acute T lymphoblastic leukaemic cell MOLT-4 and Peripheral Blood Mononuclear Cells or PBMC isolated from a healthy donor to check its cytotoxic effect on normal cells. Results: Results indicated that the methanolic extract of Macrocybe crassa shows appreciable anti-proliferative activity against breast cancer cell line MCF7 and negligible effect on MOLT4 cells. In contrast no significant anti-proliferative effect has been observed in normal PMMCs. Moderate anti-oxidant activity was recorded in methanolic extract. Conclusion: Methanolic extract of of Macrocybe crassa with moderate anti-oxidant activity and specific anti-proliferative effect on MCF7 holds a great promise can be used for isolation of bio molecules for treating Breast Cancer. [ABSTRACT FROM AUTHOR]

Animal tissue has an extended history of clinical use in applications like heart valve bioprosthesis devices, cardiovascular surgical applications etc. but often does not last long after implantation in the body due to rapid unwanted degradation. The goal of this work is to develop novel composite biomaterials by grafting biological tissue with synthetic, biodegradable polymers. In the current research phase, porcine submucosa, ureter and bovine pericardial tissue are grafted with poly DL-lactide (PLA), poly glycolide (PGA) and poly DL-lactide glycolide (PLGA) copolymers. The grafted and control tissues are characterized by FTIR and SEM. The biodegradability of the tissue-graft composite materials is determined by pepsin and collagenase digestion assays, showing it can be tailored by varying the grafted polymer type and amount. The grafted tissues can be tuned for a particular clinical or tissue engineering applications including drug delivery with little or no burst release and sustained/controlled delivery. [ABSTRACT FROM PUBLISHER]

An exciting new development in main group chemistry has been the use of a constrained, "flat", phosphorus-based complex to mediate in reactions such as the dehydrogenation of ammonia borane (AB), and the activation of the N-H bond in primary amines. Its importance is based on the fact that it shows that main group compounds, when properly designed, can be as effective as transition metal complexes for doing significant chemical transformations. What the current computational study, employing density functional theory (DFT), reveals is that a common, general mechanism exists that accounts for the behavior of the flat phosphorus compound in the different reactions that have been experimentally reported to date. This mechanism, which involves the mediation by a base as a proton transfer agent, is simpler and energetically more favorable than the previous mechanisms that have been proposed for the same reactions in the literature. It is likely that the knowledge gained from the current work about the chemical behavior of this phosphorus compound can be utilized to design new constrained phosphorus-based compounds. [ABSTRACT FROM AUTHOR]

A series ofN-(n-alkylcarbamoyl)-l-amino acid amphiphiles with different amino acid head groups were designed and synthesised. The gelation abilities of these amphiphilic molecules were studied in toluene andp-xylene solvents. The hypothesis that steric crowding at the chiral head group destroys gelation ability of the amphiphile was examined. Indeed, besidel-alanine-based amphiphile, onlyl-serine andl-aspartic acid derivatives were found to gelate the organic liquids efficiently in the presence of a small quantity of water. The gels were characterised by a number of methods, including FT-IR, NMR and X-ray diffraction spectroscopy, scanning electron microscopy (SEM) and rheology. The SEM micrographs revealed three-dimensional networks of ribbon-like aggregates. The organogels were observed to be thermo-reversible in nature and have sufficient mechanical strength. The gels have gel-to-sol transition temperatures above the physiological temperature (310 K). [ABSTRACT FROM AUTHOR]

In this work, we have designed andsynthesized a series of fattyacid amphiphiles that have the same structural skeleton but differenthydrogen-bonding (H-bonding) functional groups in the hydrocarbonchain. To examine the importance of the H-bonding interaction on theformation of a one-dimensional (1D) aggregate in organic solvents,we have compared the gelation behavior of these amphiphiles in somecommon organic solvents at room temperature. Despite the structuralsimilarity, the amphiphiles were observed to exhibit different gelationbehavior. The organogels were characterized using conventional techniquessuch as field emission scanning electron microscopy, X-ray diffraction,and rheology. A systematic analysis of the FT-IR and 1HNMR spectral data, gel melting temperatures, and mechanical strengthsof the organogels in a given solvent suggested the importance of H-bondingas well as van der Waals interaction in the gelation process. In thisstudy, we have made an attempt to estimate qualitatively the relativecontribution of H-bonding and van der Waals interactions between gelatormolecules forming organogels. The results suggest that strong andweaker H-bonding affects the gelation ability of gelators. However,when the H-bonding interaction is weak, an increase in van der Waalsinteractions can result in gelation, but when both H-bonding and vander Waals interactions are weak, that is, when the amphiphiles areliquid and semisolid, no gelation is observed. It is concluded thata balance between H-bonding and van der Waals interactions is necessaryfor physical gelation. [ABSTRACT FROM AUTHOR]

The major driving force for organogelationis known to be hydrogenbonding for gelators containing functional groups capable of forminghydrogen bond(s). In order to examine this, we have investigated thegelation behavior of two 4-(N-tetradecanoyl)aminohydroxybutanoicacid amphiphiles in a series of organic solvents and compared withthose of the corresponding unsubstituted amphiphile 4-(N-tetradecanoyl)aminobutanoic acid (C14-ABA). The gelationability of the nonhydroxyl amphiphile C14-ABA was foundto be better than the hydroxyl group substituted amphiphiles. An attemptwas also made to correlate gelation abilities of the amphiphiles withthe solvent polarity parameters. The driving force for the gelationwas studied by Fourier transform infrared and 1H NMR spectroscopy.The organogels were characterized by electron microscopy and XRD.The thermal stability of the gels was investigated by measuring thesol-to-gel transition temperature. Rheological measurements were performedin order to determine the mechanical stability of the organogels.The gelation ability and thermal and mechanical stability of the organogelswere correlated with the intermolecular hydrogen-bonding interactionsbetween amphiphile head groups. [ABSTRACT FROM AUTHOR]

The contamination of the urban water cycle (UWC) with a wide array of emerging organic compounds (EOCs) increases with urbanization and population density. To produce drinking water from the UWC requires close examination of their sources, occurrence, pathways, and health effects and the efficacy of wastewater treatment and natural attenuation processes that may occur in surface water bodies and groundwater. This paper researches in details the structure of the UWC and investigates the routes by which the water cycle is increasingly contaminated with compounds generated from various anthropogenic activities. Along with a thorough survey of chemicals representing compound classes such as hormones, antibiotics, surfactants, endocrine disruptors, human and veterinary pharmaceuticals, X-ray contrast media, pesticides and metabolites, disinfection-by-products, algal toxins and taste-and-odor compounds, this paper provides a comprehensive and holistic review of the occurrence, fate, transport and potential health impact of the emerging organic contaminants of the UWC. This study also illustrates the widespread distribution of the emerging organic contaminants in the different aortas of the ecosystem and focuses on future research needs. [ABSTRACT FROM AUTHOR]

Full quantum chemical calculations with density functional theory (DFT) show that bond-strengthening back-donation to a π-diborene, recently discovered for transition metal systems (Braunschweig and co-workers, Nat. Chem., 2013, 5, 115-121), would be just as favored for Main Group silylene complexes. This result not only shows the range and applicability of the bond-strengthening back-bonding interaction, but also showcases the capacity of silylene complexes to do new chemistry, such as the cooperative activation of carbon monoxide and carbon dioxide. [ABSTRACT FROM AUTHOR]

There has been considerable interest in recent times to develop transition metal complex systems that can demonstrate metal–ligand cooperativity. It has recently been shown (Wass et al., J. Am. Chem. Soc., 2011, 133, 18463) that early transition metals can cooperate with ligands carrying phosphines as pendant groups, working as metal analogues to frustrated Lewis pairs (FLPs) to mediate in a variety of important reactions. What the current work attempts to do is to show how this concept of metal containing FLPs can be expanded to include late transition metal complexes as well: complexes that have been modified from existing systems that serve as efficient catalysts for homogeneous polymerization. A modified palladium complex has been considered in this regard as an example of a potential late transition metal FLP and studied with full quantum mechanical calculations. The calculations indicate that this complex would be effective at catalyzing ammonia borane dehydrogenation. The possibility of competing side reactions such as reductive elimination have also been considered, and it has been found that such processes would also yield stable products which could act as an FLP in catalyzing reactions such as the dehydrogenation of ammonia borane. The current work therefore expands the scope of metal containing FLPs to include late transition metals and demonstrates computationally the potential of such complexes for exhibiting metal–ligand cooperativity. [ABSTRACT FROM AUTHOR]

A series of l-cysteine-derived double hydrocarbonchainamphiphilic gelators l-(3-alkyl-carbamoylsulfanyl)-2-(3-alkylurido)propionicacid with different hydrocarbon chain lengths (C6–C16) wasdesigned and synthesized. These gelators efficiently gelate only aromaticsolvents. The gelation ability increased with the increase of chainlength up to C14, but then it dropped with further increase of chainlength. The C12 and C14 derivatives also gelled ethanol/water mixtures.The gels were characterized by a number of methods, including FT-IR,NMR, and XRD spectroscopy, electron microscopy, and rheology. Theamphiphiles were observed to form either flat lamellar or ribbonlikeaggregates in aromatic solvents as well as in ethanol/water mixtures.The gelation in all the solvents employed was observed to be thermoreversible.The gel-to-sol transition temperature as well as mechanical strengthof the organogels were observed to increase with the hydrocarbon chainlength. Both types of gels of C8–C16 amphiphiles have gel-to-soltransition temperatures above the physiological temperature (310 K).FT-IR and variable temperature 1H NMR measurements suggestedthat van der Waals interactions have major contribution in the gelationprocess. The gel-to-sol transition temperature and mechanical strengthof the organogels in ethanol/water mixtures was observed to be higherthan those of benzene organogel. [ABSTRACT FROM AUTHOR]

Abstract: We report gelation behavior of a series of N-acyl-β-alanine (C n -β-Ala) gelators in a variety of organic liquids. The effect of alkyl chain length was studied to elucidate gelation mechanism. The gelation behavior of the C n -β-Ala gelators was compared with that of corresponding N-acyl-l-alanine (C n -l-Ala) derivatives. Unlike C n -l-Ala the C n -β-Ala gelators failed to gel aliphatic hydrocarbons and exhibit phase-selective gelation in the presence of water. The gelation ability of C n -β-Ala was observed to be poorer than C n -l-Ala gelators. Also C n -β-Ala organogels are thermally less stable, but they are observed to have higher mechanical strength than C n -l-Ala organogels. [Copyright &y& Elsevier]

Abstract: Rapid urbanization and frequent disposal of wastewater to surface water cause widespread contamination of freshwater supplies with emerging contaminants, such as pharmaceuticals, insecticides, surfactants, endocrine disruptors, including hormones. Although these organic contaminants may be present at trace levels, their adverse effects on aquatic life, animals and even humans are a growing concern. Numerous studies have been published on the occurrence and fate of emerging organic contaminants in different parts of the world, spanning a wide range of sources and aquatic environments including freshwater catchments, effluent wastewater streams, lakes, rivers, reservoirs, estuaries and marine waters. This paper reviews recent studies on the occurrence and fate of frequently detected pharmaceuticals and hormones and identifies areas that merit further research. [Copyright &y& Elsevier]

Abstract: A new class of amphiphiles, N-(4-n-alkyloxybenzoyl)-l-alanine was designed and synthesized. These amphiphiles have been shown to form thermoreversible gels in organic solvents such as aromatic hydrocarbons, cyclohexane, and chlorinated hydrocarbons at room temperature. The effects of amide functionality, chain length of the hydrocarbon tail, and the chirality of the head group of the amphiphiles on the ability to promote gelation in organic solvents have been studied. The n-tetradecyl derivative showed the best gelation ability, whereas the amphiphile with d l-alanine as the head group formed weak organogels. The 4-dodecyloxybenzoic-1-carboxyethyl ester derivative in which the amide group is replaced by an ester group also formed weak organogels at a slightly lower temperature (293K). The gelation number and the gel melting temperature of the gelators in different solvents were determined. The rheological measurements suggested that the organogels of n-tetradecyl derivatives are stronger than those of amphiphiles containing n-dodecyl chains. Also the organogels of the amphiphiles, except the one with an ester group, were found to have gel-to-sol transition temperatures, T gs, higher than room temperature (∼303K), which increased with the increase of chain length and total concentration of the gelator. SEM pictures of the gels show fibrous structures. Small-angle XRD and optical microscopy were also employed to characterize the gels. The organogels of alanine derivatives, except that of 4-dodecyloxybenzoic-1-carboxyethyl ester, showed optical birefringence. The mechanism of gelation was studied using 1H NMR and FTIR spectroscopy. Hydrogen-bonding between –CO2H groups as well as π–π interactions were found to be important for the gelation process. [Copyright &y& Elsevier]

Abstract: A batch photocatalytic study was carried out to inactivate six different species of bacteria using fluorescent light and TiO2 photocatalyst. Several surface loadings of TiO2 varying from 234 to 8662mg/m2, impregnated on membrane filters were used with fluorescent light of constant illuminance of 3900lux for the inactivation of four ATCC bacteria (Escherichia coli K-12, Pseudomonas fluorescens, Bacillus subtilis and Microbacterium sp.) and two other species of bacteria collected from outdoor air in Singapore (Microbacteriaceae str. W7 and Paenibacillus sp. SAFN-007). Gram-negative bacterium E. coli K-12 was the most effectively inactivated, while Gram-positive B. subtilis exhibited the least response to the photocatalytic treatment. The inactivation rate increased with an increase in the TiO2 loading, the maximum inactivation of most bacteria was achieved at an optimum TiO2 loading of 511–1666mg/m2, corresponding to a thickness of 294–438nm of TiO2 layer on the surface. 100% of the E. coli K-12 was inactivated after 30min of treatment at a TiO2 loading of 1666mg/m2, while inactivation of 1log10 was obtained for Microbacterium sp., Paenibacillus sp. SAFN-007 and Microbacteriaceae str. W7 after 2h of illumination at a TiO2 loading of 1116mg/m2. [Copyright &y& Elsevier]

The non-specificity of conventional cancer drugs imposes a significant obstacle in cancer treatment, so the development of a safe anti-cancer alternative by methodologically revisiting several traditional medicinal systems may be a possible way to get rid of this problem. Therefore, the present study evaluates the anti-cancer potentiality of one of the Asiatic and African regions' widely popular edible and ethnobotanically significant termite mushroom, Termitomyces heimii Natarajan (T. heimii), against various cancers. The anti-proliferative and chemo-preventive potentiality of two different extracts of T. heimii was evaluated against a panel of eight cancer cell lines and normal cells through an MTT assay. In vitro screening highlights that the methanolic extract of T. heimii had the highest anti-proliferative potential against A549 cells and had a negligible effect on normal cells. The extract specifically induced robust apoptosis in A549 cells through augmentation of intracellular ROS, disrupting mitochondrial membrane polarity, thus ultimately resulting in caspase-dependent apoptosis in lung cancer cells. Post-treatment, down-regulation of anti-apoptotic BCL-2 coordinated up-regulation of BAX expression, and an elevated expression of p53 signified the p53-dependent apoptosis. Moreover, the mushroom extract restricted cellular migration in the palladin-dependent pathway by downregulating the expression of PALLADIN. LC-MS-based metabolomic profiling was conducted to identify the potential anti-cancer mycocompounds in the methanol extract. The metabolomic profiling analysis, followed by an in silico molecular docking study, identified a unique mycosterol, neoergosterol, as a possible anti-cancer compound in the mushroom extract. The present study concludes a novel mycocompound neoergosterol resourcing from Termitomyces heimii Natarajan, demonstrating selective robust apoptosis against non-small cell lung cancer cells and also provides a chemoprotective shield against normal cells, which holds great promise for future drug development to treat lung cancer. [Display omitted] • Introducing a novel wild edible mushroom, Termitomyces heimii Natarajan, to the mycophagy communities of Asia and Africa, emphasizing its anti-cancer effect against lung cancer. • The Neoergosterol-rich mushroom extract significantly attenuated lung cancer progression by modulating the p53 pathway, resulting in ROS-substantiated, caspase-dependent, robust apoptosis in lung cancer cells. • The unique mycocompound neoergosterol also restricts cancer spreading by downregulating the expression of one of the crucial cytoskeleton modulators, palladin. [ABSTRACT FROM AUTHOR]

Full DFT based quantum mechanical studies reveal that zero dimensional porous structures, especially the newly proposed phosphorus incorporated organic cages, can be excellent catalysts for the dehydrogenation of ammonia borane. [ABSTRACT FROM AUTHOR]

A carnosine based amphiphilic hydrogelator has been developed which efficiently gelates water and exhibits salt, pH and thermoresponsive gelation properties. [ABSTRACT FROM AUTHOR]

Blood based biomaterials are widely researched and used in different biomedical applications including cell therapy, drug delivery, sealants etc. due to their biocompatibility and biodegradability. Blood derived gels are successfully used in clinical studies due to the presence of fibrinogen and several platelet growth factors. In spite of their wide applications, it is challenging to use blood-based biomaterials due to their low mechanical stability, poor adhesive property and contamination risk. In this study, we used porcine plasma to form gel in presence of biodegradable synthetic crosslinkers. Mechanical strength of this plasma gel could be tailored by altering the amount of crosslinkers for any desired biomedical applications. These plasma gels, formed by the synthetic crosslinkers, were utilized as a drug delivery platform for wound healing due to their low cytotoxicity. A model drug release study with these plasma gels indicated slow and sustained release of the drugs. [ABSTRACT FROM AUTHOR]

Previous studies showed the presence of multiple emerging organic contaminants (EOCs) in urban surface waters of Singapore even though there are no obvious direct wastewater discharges. In this study, we investigated the occurrence and distribution of 17 pharmaceuticals and personal care products (PPCPs) and endocrine disruptive compounds (EDCs) in a tropical urban catchment of Singapore. Monthly samples were collected from a reservoir and its 5 upstream tributaries during a 16-month period. Analysis of samples showed all sites had measurable PPCP and EDC concentrations, with caffeine (33.9–2980 ng/L), salicylic acid (5–838 ng/L), acetaminophen (< 4–485.5 ng/L), BPA (< 2–919.5 ng/L) and DEET (13–270 ng/L) being the most abundant. Marked differences in concentrations of target analytes between the reservoir and upstream tributaries were observed, and were tentatively attributed to the spatial differences in source inputs, water dilution capacity as well as natural attenuation of EOCs. Significant correlations between EOCs and conductivity, dissolved oxygen, chlorophyll a , turbidity, nutrients and cumulative precipitation were observed. These factors appeared to affect the distribution and attenuation of EOCs, depending on their physicochemical properties. Rainfall also influenced the temporal distribution of caffeine, BPA, triclosan, fipronil and DEET in the reservoir. Ecological risk assessment showed that caffeine, acetaminophen, estrone, BPA, triclosan and fipronil may warrant further survey. In particular, BPA levels exceeded the literature-based Predicted No-Effect Concentration (PNEC) value, highlighting the need for source control and/or water remediation in this urban catchment. [ABSTRACT FROM AUTHOR]

Fullerenes have been applied to various fields in recent years for their unique physicochemical properties. C 60 's potential environmental and health risks are therefore being investigated. This work presents the cytotoxicity of aqueous C 60 aggregates (nC 60 ) by using the mouse peritoneal macrophage (RAW264.7) as a model biological system. Cells incubated with nC 60 showed a decrease in cell viability, and the quantities of cell apoptosis increased significantly in a dose-dependent and time-dependent manner. By TEM imaging cells were observed to be asymmetric and shrunken compared to control cells. nC 60 was adsorbed onto the plasma membrane and apparent phagocytosis was observed after a 24 h exposure. The intracellular reactive oxygen species (ROS) were quantified with the dichlorofluorescein diacetate (DCFH-DA) detection assay kit by flow cytometry and found to increase in treated cells. Membrane damage and lipid peroxidation were not observed, since both intracellular and extracellular MDA showed no variation. Detection of the mitochondrial membrane potential (MMP) by JC-1 assay kit showed that MMP had an obvious dose-dependent loss. We speculate that the nC 60 aggregates induced apoptosis of macrophage by changing the mitochondrial membrane potential. [ABSTRACT FROM AUTHOR]

Abstract: Emerging organic contaminants (EOCs) occurring in urban runoff can negatively impact sensitive ecosystems and drinking water resources. The occurrence of 13 EOCs was characterized in the Marina Catchment, a large urban catchment approximately one-sixth the area of Singapore. The 13 EOCs included alkylphenol ethoxylate metabolites (APEMs), hormones, pharmaceuticals, bisphenol A, and a pesticide (fipronil). The APEMs were most prevalent with concentrations of nonylphenol ethoxyacetic acid (NP1EC) and nonlyphenol (NP) ranging from several ngL−1 to 6μgL−1 and 4μgL−1, respectively, while concentrations of octylphenol ethoxyacetic acid (OP1EC), dicarboxylated alkylphenol ethoxyacetic acid (CA3P1EC, CA4P1EC) were as high as 0.9μgL−1. Other EOCs were present in the ngL−1 range: chloramphenicol 1–15ngL−1, ibuprofen 2–76ngL−1, naproxen 8–108ngL−1, bisphenol A 30–625ngL−1, fipronil 1–72ngL−1, estrone 1–304ngL−1, estriol 3–451ngL−1. The APEMs and EOCs detected appear to enter canals and rivers from non-point sources, possibly from runoff and leaking sewer lines. The closure of Marina Bay with a barrage has resulted in significantly higher levels of APEMS compared to when the bay was open to the sea. Depth profiles show that NP1EC and OP1EC were notably lower in deep waters compared to surface waters. NP, estrone and estriol exceeded literature-based Predicted No Effect Concentration (PNEC) values. [Copyright &y& Elsevier]

People with obstructive sleep apnea (OSA) often have psychological symptoms including depression and anxiety, which are commonly treated with anti-depression or anti-anxiety interventions. Psychological stress is a related symptom with different intervention targets that may also improve mental state, but this symptom is not well characterized in OSA. We therefore aimed to describe stress in relation to other psychological symptoms. We performed a prospective cross-sectional study of 103 people, 44 untreated OSA (mean ± s.d. age: 51.2 ± 13.9 years, female/male 13/31) and 57 healthy control participants (age: 46.3 ± 13.8 years, female/male 34/23). We measured stress (Perceived Stress Scale; PSS), excessive daytime sleepiness (Epworth Sleepiness Scale; ESS), depressive symptoms (Patient Health Questionnaire; PHQ-9), and anxiety symptoms (General Anxiety Disorder; GAD-7). We compared group means with independent samples t-tests and calculated correlations between variables. Mean symptom levels were higher in OSA than control, including PSS (mean ± s.d.: OSA = 15.3 ± 6.9, control = 11.4 ± 5.5; P = 0.002), GAD-7 (OSA = 4.8 ± 5.0, control = 2.1 ± 3.9; P = 0.02), PHQ-9 (OSA = 6.9 ± 6.1, control = 2.6 ± 3.8; P = 0.003) and ESS (OSA = 8.1 ± 5.3, control = 5.0 ± 3.3; P = 0.03). Similar OSA-vs-control differences appeared in males, but females only showed significant differences in PHQ-9 and ESS, not PSS or GAD-7. PSS correlated strongly with GAD-7 and PHQ-9 across groups (R = 0.62–0.89), and moderately with ESS. Perceived stress is high in OSA, and closely related to anxiety and depressive symptoms. The findings support testing stress reduction in OSA. [ABSTRACT FROM AUTHOR]

A new family of non-oxidovanadium(IV) [VIV(L)2] (1–4) complexes along with methoxy bonded oxidovanadium(V) [VVO(L)(OCH3)] (5 and 6) and [VVO(L)(OCH3)]2 (7 and 8) complexes have been synthesized by refluxing [VIVO(aa)2] [aa− being the deprotonated form of acetylacetone (Haa)] with a family of hydrazone ligands (H2L1–4, general abbreviation H2L, obtained by the condensation of 2-aminobenzoylhydrazide with 2-hydroxyacetophenone and its 5-substituted derivatives) using laboratory grade methanol as a solvent in the presence of air in ∼30% yield. The DFT calculated changes in Gibbs free energy (ΔG), enthalpy (ΔH) and internal energy (ΔE) for the reaction to form complexes 1–4 in methanol: 2H2L + [VIVO(aa)2] + ¼O2 + CH3OH → [VIV(L)2] + 2Haa + CH3OH + ¼O2 are on average ∼10, ∼5 and ∼14 kcal mol−1 respectively, while these values for the reaction in methanol to form complexes 5–8: 2H2L + [VIVO(aa)2] + ¼O2 + CH3OH → [VVO(L)(OCH3)] + H2L + 2Haa + ½H2O are on average ∼−16, ∼−20 and ∼−12 kcal mol−1 respectively, suggesting that the formation of 1–4 is not thermodynamically feasible through this method. In practice, however, these complexes are also formed probably due to their very low solubility in methanol along with complexes 5–8. The complexes were characterized by analytical and spectral methods. The structures of the H2L2 and H2L3 ligands and complexes 3 and 5–8 were determined by X-ray diffraction. Complexes 1–4 display quasi-reversible one-electron oxidation and reduction peaks in the potential windows of 0.66–0.70 and −0.22 to −0.39 V respectively while complexes 5–8 exhibit quasi-reversible one-electron reduction peaks in the 0.15–0.22 V region. The EPR spectral parameters indicate that the odd electron in complexes 1–4 is present in the dxy orbital, a suggestion which is also supported by a DFT study. The substituents in the aryloxy ring of the hydrazone ligands exhibited a significant effect on λmax for the LMCT transition, A‖, E1/2, ESOMO/EHOMO and ELUMO of the complexes. Complexes 1, 3, and 5–7 showed a wide range of toxicity in a dose dependent manner against lung cancer cells and they kill the cells through apoptosis. The binding ability of the complexes with CT DNA has been determined by a fluorescence emission study and the binding constant value obtained by this method was supported by a molecular docking study. [ABSTRACT FROM AUTHOR]

Refluxing [VIVO(β-diketonate)2], namely [VIVO(acetylacetonate)2] and [VIVO(benzoylacetonate)2], separately with an equivalent or excess amount of 2-aminobenzoylhydrazide (ah) in laboratory grade (LG) CH3OH in aerobic conditions afforded non-oxidovanadium(iv) and oxidovanadium(v) complexes of the type [VIV(L1)2] (1), [VVO(L1)(OCH3)]2 (3) and [VIV(L2)2] (2), and [VVO(L2)(OCH3)] (4), respectively. (L1)2− and (L2)2− represent the dianionic forms of 2-aminobenzoylhydrazone of acetylacetone (H2L1) and benzoylacetone (H2L2), respectively, (general abbreviation, H2L), which was formed by the in situ condensation of ah with the respective coordinated [β-diketonate] in medium-to-good yield. The yield of different resulting products was dependent upon the ratio of ah to [VIVO(β-diketonate)2]. For example, the yield of 1 and 2 complexes increased significantly associated with a decrease in the amount of 3 and 4 with an increase in the molar ratio of ah. Upon replacing CH3OH by a non-hydroxylic solvent, LG CHCl3, the above reaction yielded only oxidovanadium(v) complexes of the type [VVO(L1)(OH)]2 (5), [VVO(L2)(OH)] (6) and [VV2O3(L)2] (7, 8) whereas, upon replacing CHCl3 by another non-hydroxylic solvent, namely LG CH3CN, only the respective [VV2O3(L)2] (7, 8) complex was isolated in 72–78% yield. However, upon performing the above reactions in the absence of air using dry CH3OH or dry CHCl3, only the respective [VIV(L)2] complex was obtained, suggesting that aerial oxygen was the oxidising agent and the type of pentavalent product formed was dependent upon the nature of solvent used. Complexes 3 and 4 were converted, respectively, to 7 and 8 on refluxing in LG CHCl3via the respective unstable complex 5 and 6. The DFT calculated change in internal energy (ΔE) for the reactions 2[VVO(L2)(OCH3)] + 2H2O → 2[VVO(L2)(OH)] + 2CH3OH and 2[VVO(L2)(OH)] → [VV2O3(L2)2] + H2O was, respectively, +3.61 and −7.42 kcal mol−1, suggesting that the [VVO(L2)(OH)] species was unstable and readily transformed to the stable [VV2O3(L2)2] complex. Upon one-electron reduction at an appropriate potential, each of 7 and 8 generated mixed-valence [(L)VVO–(μ-O)–OVIV(L)]− species, which showed valence-delocalisation at room temperature and localisation at 77 K. Some of the complexes showed a wide range of toxicity in a dose-dependent manner against lung cancer cells comparable with that observed with cis-platin. [ABSTRACT FROM AUTHOR]