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DGA (diglycolamide) ligands show a different extraction behavior of trivalent metal ions by changing the branching alkyl chain length as well as the branching at the methylene position. There are no studies of these factors on the extraction efficiency of these DGA derivatives for the extraction of tetravalent actinides. We have evaluated four different DGA derivatives for the extraction of Np, Pu, and Th from molecular diluents. The n-butyl derivative shows enhanced extraction efficiency and branching gives rise to a reduction in the extraction efficiency of tetravalent ions. The distribution ratios are higher in pure octanol than in a mixture of 30% octanol and 70% n-dodecane. This behavior is in marked difference to that of the extraction of trivalent ions where the addition of an alcohol generally decreases the distribution ratio of trivalent ions due to the ligand-modifier intercation, poor aggregation or micelle formation tendency of DGAs in polar solvents. This suggests that micelle-mediated extraction may not be the dominating factor for the extraction of tetravalent metal ions. Slope analysis suggests the involvement of only two DGA molecules in the extracted species suggesting no/poor possibility of micelle formation in the present system. The higher extraction in pure octanol may be due to a better solubility of the extracted complexes in this polar medium compared to the mixture of octanol and n-dodecane. The water and acid uptake, the back extraction, and the radiation stability of the solvent systems were also investigated. DFT studies were performed to get a better insight into the extraction and complexation of the different DGA solvent systems. [ABSTRACT FROM AUTHOR]

Demand-side management of smart grid with electric vehicles (EVs) is overviewed in this review paper. The major objective of the work is to reduce the hourly peak load to obtain a steady load schedule, maximize user satisfaction and reduce cost. This review allows for the probability of leveling the everyday energy load arc and unstable demand response to hourly prices from one time period to another. To obtain a balanced everyday load schedule, increase user satisfaction, and cut costs, the main aim is to reduce peak hourly load. A management system for an EV connected to the national grid for a future household with controllable electric loads. The approach that has been presented enables the integration of EVs and renewable resources while also optimizing the demand and generation in hourly distribution. The agents are taken into account for managing load, storage, and generation; specifically, they are EV aggregators. The vehicle-to-grid (V2G) combination of electric vehicles is a key aspect of this study; with this capability, EVs may offer power grid-specific services like load shifting and congestion management. By maximizing the hourly distribution of demand as well as generation, accounting for technical limitations, and enabling the addition of EVs and RES. [ABSTRACT FROM AUTHOR]

The short history of research on Li−O2 batteries has seen a remarkable number of mechanistic U‐turns over the years. From the initial use of carbonate electrolytes, that were then found to be entirely unsuitable, to the belief that (su)peroxide was solely responsible for degradation, before the more reactive singlet oxygen was found to form, to the hypothesis that capacity depends on a competing surface/solution mechanism before a practically exclusive solution mechanism was identified. Herein, we argue for an ever‐fresh look at the reported data without bias towards supposedly established explanations. We explain how the latest findings on rate and capacity limits, as well as the origin of side reactions, are connected via the disproportionation (DISP) step in the (dis)charge mechanism. Therefrom, directions emerge for the design of electrolytes and mediators on how to suppress side reactions and to enable high rate and high reversible capacity. [ABSTRACT FROM AUTHOR]

In der kurzen Geschichte der Forschung an Li−O2‐Batterien gab es im Laufe der Jahre eine bemerkenswerte Anzahl mechanistischer Kehrtwendungen. Von der anfänglichen Verwendung von Karbonat‐Elektrolyten, die sich dann als völlig ungeeignet erwiesen, über die Annahme, dass (Su)Peroxid allein für die Degradation verantwortlich sei, bevor man feststellte, dass sich der reaktivere Singulett‐Sauerstoff bildet, bis hin zu der Hypothese, dass die Kapazität von einem konkurrierenden Oberflächen‐/Lösungsmechanismus abhängt, bevor ein praktisch ausschließlicher Lösungsmechanismus identifiziert wurde. Wir plädieren hier für einen immer neuen Blick auf die vorliegenden Daten ohne Voreingenommenheit gegenüber vermeintlich etablierten Erklärungen. Wir erläutern, wie die neuesten Erkenntnisse über Raten‐ und Kapazitätsgrenzen sowie die Entstehung von Nebenreaktionen über den Disproportionierungsschritt (DISP) im (Ent‐)Ladungsmechanismus miteinander verbunden sind. Daraus ergeben sich Hinweise für das Design von Elektrolyten und Mediatoren, wie Nebenreaktionen unterdrückt und hohe Raten und hohe reversible Kapazitäten ermöglicht werden können. [ABSTRACT FROM AUTHOR]

The extraction of Np4+ was studied by a series of N-pivot tripodal diglycolamides, with varying substituents (alkyl groups with varying branching and chain length) and varying spacer length, dissolved in an ionic liquid, i.e. [C4mim][Tf2N]. Out of a series of four ligands, LI (propylene spacer) and LII (ethylene spacer) differ only in the spacer length connecting the three diglycolamide units with the tripodal N platform. While LII – LIV have the same spacer length (ethylene spacer), but LII has a hydrogen atom, LIII has methyl group, and LIV has isopropyl group as a substituent at the amidic N atom close to the central N atom. A reversal extraction mechanism of Np4+ was observed when the spacer chain length reduced from a propylene group in LI to an ethylene group in LII – LIV. While a cation-exchange mechanism was observed in case of LI, a solvation extraction mechanism was seen for the other three ligands with the extracted species being Np(NO3)2(L)2+ for LI, and [Np(NO3)4·L] for LII – LIV. The extraction efficiencies of Np4+ with LII – LIV were significantly affected by the nature of the alkyl substituents and follow the order: LII > LIII > LIV. This trend in the extraction pattern affirms that the alkyl substitution at the amidic N atom creates steric strain in the ligand while complexing with the metal ion. [ABSTRACT FROM AUTHOR]

The human ABCB1 (P-glycoprotein, Pgp) protein is an active exporter expressed in the plasma membrane of cells forming biological barriers. In accordance with its broad substrate spectrum and tissue expression pattern, it affects the pharmacokinetics of numerous chemotherapeutic drugs and it is involved in unwanted drug–drug interactions leading to side effects or toxicities. When expressed in tumor tissues, it contributes to the development of chemotherapy resistance in malignancies. Therefore, the understanding of the molecular details of the ligand–ABCB1 interactions is of crucial importance. In a previous study, we found that quercetin (QUR) hampers both the transport and ATPase activity of ABCB1, while cyandin-3O-sophroside (C3S) stimulates the ATPase activity and causes only a weak inhibition of substrate transport. In the current study, when QUR and C3S were applied together, both a stronger ATPase inhibition and a robust decrease in substrate transport were observed, supporting their synergistic ABCB1 inhibitory effect. Similar to cyclosporine A, a potent ABCB1 inhibitor, co-treatment with QUR and C3S shifted the conformational equilibrium to the "inward-facing" conformer of ABCB1, as it was detected by the conformation-selective UIC2 mAb. To gain deeper insight into the molecular details of ligand–ABCB1 interactions, molecular docking experiments and MD simulations were also carried out. Our in silico studies support that QUR and C3S can bind simultaneously to ABCB1. The most favourable ligand–ABCB1 interaction is obtained when C3S binds to the central substrate binding site and QUR occupies the "access tunnel". Our results also highlight that the strong ABCB1 inhibitory effect of the combined treatment with QUR and C3S may be exploited in chemotherapy protocols for the treatment of multidrug-resistant tumors or for improving drug delivery through pharmacological barriers. [ABSTRACT FROM AUTHOR]

Introduction: Type II diabetes mellitus is a major public health problem nowadays and it affects almost all structures of the eye including the corneal endothelium. Corneal manifestations seen in diabetic patients are recurrent corneal erosions, punctuate epithelial keratopathy, persistent epithelial defects, impaired corneal sensitivity, ulcers, delayed wound repair, superficial keratitis, and corneal endothelial damage. Materials and Methods: A cross-sectional prospective analytical study with 100 patients including 50 type II diabetics (Group A) and 50 non-diabetics (Group B) was conducted in our tertiary care hospital from November 2020 to April 2021. Along with complete routine ophthalmic examination, endothelial morphology and central corneal thickness (CCT) assessment were performed by non-contact specular microscopy. Results: Mean CCT in Group A (535.44 ± 10.67 μm2) was higher than in Group B (526.86 ± 10.15 μm2) which was statistically significant (P-value < 0.001). Also mean endothelial cell density (ECD) and mean hexagonality were significantly lower in the diabetic group (2449.48 ± 210.52 cells/mm2 and 51.24 ± 4.83%) than in Group B (2581.56 ± 233.03 cells/mm2 and 54.12 ± 5.28%). The mean coefficient of variation (CV) was 38.32 ± 2.43% in Group A and in Group B it was 35.48 ± 2.55%, which shows that there was a statistically significant higher CV count in the diabetic group. Conclusion: The present study shows that CCT and CV are more, while ECD and hexagonality are less in diabetics in comparison with non-diabetics. Routine assessment of corneal endothelial morphology will help to take necessary measures to prevent further endothelial cell loss during intraocular surgery, so as to avoid post-surgery endothelial decompensation. [ABSTRACT FROM AUTHOR]

A simple one‐pot protocol for the synthesis of benzylpyrazolyl coumarin and pyrano [2,3‐c] pyrazole derivatives in the presence of potassium dihydrogen phosphate (KH2PO4) has been developed. This cascade reaction provides many advantages like environmentally benign reaction, mild reaction conditions, inexpensive catalyst, simple operation, easy workup procedure, a wide range of functional groups in good to excellent yields, and no need for column purification. [ABSTRACT FROM AUTHOR]

The Chalcone derivative (E)-3-(4-chlorophenyl)-1-(2,4-difluorophenyl)prop-2-en-1-one (C15H9ClF2O) has been newly synthesised by one-pot Claisen-Schmidt condensation reaction. The crystal structure and the lattice parameters were obtained by a single-crystal X-ray diffraction method. A quantitative analysis of the nature of intermolecular interactions, dominant interactions and corresponding energy involved in molecular packing was carried out using Hirshfeld surface analysis. From this analysis H…H interactions showed major contributions with 24.5% and H…F showed a significant contribution with 17.7% towards overall crystal packing. The quantum mechanical calculations were performed using Gaussian software. The title compound was optimized using Density Function Theory with B3LYP hybrid functional with 6-31G(d,p) basis set. In this, the frequency, molecular orbital analysis was performed and electrostatic potential map was generated and analyzed. Further, The synthesized molecule was docked with a protein target using Autodock 4 to find the best conformation site in the target. [ABSTRACT FROM AUTHOR]

• Hybrid microgrid is an emerging and exciting research field in power engineering. • Presents systematic review on various control strategies for hybrid microgrid. • Comparison between control strategies satisfying various control objectives. • Discussion on research challenges in use of effective and robust control scheme. • Discussion on emerging trends in hybrid microgrid's operation and control. Presently, there is huge development in conventional power systems due to the evolution of modern smart grids, wherein interconnected microgrids with a high level of energy storage and renewable energy penetration are gaining popularity in the modern distribution network. Future electrical distribution systems, or even transmission structures that combine AC and DC sources and loads are thought to be most promising when it comes to hybrid AC-DC systems. Using a combined operation of both AC and DC microgrids through an interfacing converter, hybrid AC-DC microgrids are advanced and benefitted with the use of both AC and DC topologies. Power management techniques for these microgrids are among the most important operational aspects. This paper provides a systematic review on numerous schemes to control hybrid AC-DC microgrids. Basically, microgrid control strategies are categorized as local control and coordinated control. Coordinated control is further divided in three control strategies as, distributed, centralized, and decentralized control. All these control strategies are employed to satisfy many control objectives, like bus voltage and frequency regulation, power sharing, and management, power quality, stability and reliability improvement, energy management, and economic dispatch. In this paper, various aspects associated with these control objectives and limitations in their control strategies are discussed. Also, future prospects on control of hybrid AC-DC microgrids and an effective and robust control strategy for power management possibly to be employed, are presented in the concluding section of this paper. [ABSTRACT FROM AUTHOR]

The food industries throughout the world have a lot of drying processes. In this project, a temperature and humidity based air flow control mechanism is proposed. In an airtight closed box where a particular wet food in placed, this process can be applied. A lot of foods required to not to be heated beyond a certain temperature to maintain their molecular integrity and nutrient value. At the same time, their moisture content has to be reduced to a certain level for preservation purpose. This demands, different food types to be dried for varying time duration, based on their moisture content. This system senses the humidity and the temperature and controls the airflow mechanism by varying the blower fan speed accordingly. [ABSTRACT FROM AUTHOR]

An elemental sulfur promoted strategy for the synthesis of a series of diverse 4H‐pyrimido[2,1‐b]benzothiazoles has been developed under metal and solvent‐free conditions. This methodology allows the facile and convenient synthesis of desired products in good to excellent yields. This process achieved broad substrate scope, inexpensive catalyst and mild reaction conditions. [ABSTRACT FROM AUTHOR]

Quantitative extraction of Np(IV) was achieved using a room temperature ionic liquid containing sub-millimolar concentrations of two poly(propyleneimine) based dendrimer ligands with four (LI) and eight (LII) diglycolamide (DGA) moieties from nitric acid solutions. The extraction of the metal ion followed a cation exchange mechanism with decreasing extraction with increasing HNO3 concentration up to 4 M, the major exchanging species being Np(NO3)3L+. Beyond this acidity an increased metal ion extraction was seen, which was attributed to an anion exchange mechanism. UV-visible spectrophotometric studies showed a different nature of the extracted Np-L (LI or LII) complexes in the ionic liquid and molecular diluent. Quantitative back extraction of Np(IV) was achieved by using aqueous complexing agents. Cyclic voltametric studies of the extracted complexes exhibited differences in the electron-donating ability of the two ligands towards Np(IV). Both ligands showed a non-reversibility or a quasi-reversible nature of the Np reduction couple. The radiation stability of the present extraction system was not so high. [ABSTRACT FROM AUTHOR]

Two diglycolamide (DGA) functionalized poly(propylene imine)diaminobutane dendrimers, first generation (Gen I) and second generation (Gen II), termed as LI and LII, were used for the extraction of the tetravalent actinide ions Np4+ and Pu4+ from nitric acid medium. The metal ion extraction followed a 'solvation' type mechanism showing increasing metal ion extraction with increasing nitric acid concentration with species of the type: M(NO3)4·L (M = Np or Pu) with some contribution of M(NO3)4·2L for Pu. Pu4+ formed much stronger complexes with both DGA-dendrimer ligands as compared with Np4+, as reflected in their two-phase extraction constants and higher ΔH values, attributed to its higher ionic potential. Binding of the metal ions was to one 'DGA pocket' in each of the dendrimers. The structure and bonding analysis was done on the basis of DFT studies. [ABSTRACT FROM AUTHOR]

Introduction Low back pain is experienced by most of the people at some point of life. In our setting, there are very limited data on low back pain. This study aims to elaborate demographic and clinical profile of patients presenting to outpatient department of Orthopedics, in Tribhuvan University Teaching Hospital with complaints of low back pain. Methods A descriptive cross-sectional observational study was carried out in 150 patients who presented with complaints of lower back pain in outpatient department of Orthopedics of TU Teaching Hospital from May to November 2019. The demographics including age, gender, occupation, and clinical data-duration of symptoms, body mass index, VAS score and radiculopathy along with Body Mass Index of each patient were recorded in a proforma separately. Results Out of total 150 patients, male: female ratio was 1:1.9. The average age of patients was 42.1 years The average height, weight and body mass index of patients were 157 cm, 61.81kg and 24.83kg/m2 respectively. The mean visual analogue score of patients was 5.41. Occupationally, predominant number of patients were housewives (41.3%). Seventy nine patients (52.7%) had low back pain alone. Seventy one patients (47.3%) had low back pain associated with radicular symptoms, out of which 74.6% had unilateral radiculopathy. Conclusion Low back pain is most commonly seen in fourth decade of life. More females as compared to males are affected with low back pain. The radiculopathy associated with low backache is mostly unilateral. [ABSTRACT FROM AUTHOR]

Opto-Electronic Integrated Circuit (OEIC) receivers offer greater advantages over other discrete devices in Visible Light Communication (VLC). Use of Optical Field-Effect Transistor (OPFET) as a photodetector-cum-amplifier has been amply identified for VLC and other related applications. OPFET offers simultaneous high sensitivity, large bandwidth, and high unity-gain cut-off frequency in relation to other state-of-art p-i-n and avalanche photodiodes (APDs). OPFET also has the additional advantage of the ability to operate at lower voltages than photodiodes. In this paper, we carry out the structural optimization of medium- and long-channel GaAs buried-gate OPFET for 600 nm wavelength operation with an in-depth analysis based on the photoconductive and photovoltaic effects, the scaling rules-induced effects, and the channel length variation effects. The bandwidth and the unity-gain cut-off frequency (fT) are simultaneously optimized with a responsivity greater than 2 × 105 A/W as a constraint. The optimization with and without any constraint on the dark current is discussed. Simulation results demonstrate that it is possible to achieve simultaneous detection and amplification up to modulation frequencies of 1.9 GHz and 3.6 GHz at radiation flux densities of 1016 and 1019 /m2-s. Corresponding responsivities of 108 and 106 A/W or higher are also achievable surpassing what is achievable in photodiodes. Simulation results are in line with previously published experimental results. The study results hold out the promise of a better potential use of OPFET for high data rate VLC applications. Remarkably, the manuscript establishes and explains for the first time the direct relationship of the 3-dB bandwidth with gate length. [ABSTRACT FROM AUTHOR]

Solvent extraction studies were performed to understand the extraction behavior of Np4+ and NpO22+ from acidic feeds with CMPO (octyl (phenyl)-N,N-diisobutyl carbamoyl methyl phosphine oxide) dissolved in 1-butyl-3-methylimidazolium bis(trifluoromethane sulfonyl)imide, a water immiscible ionic liquid. Slope analyses on the distribution data revealed the extraction of ML2 type species, where M = Np4+ or NpO22+, and L = CMPO. Studies were also carried out with Pu4+ and UO22+ under identical conditions. The nature of the extracted species was found to vary with the nature of the ionic species. [ABSTRACT FROM AUTHOR]

Introduction Fractures and dislocation of spine are serious injuries that most commonly occur in young people. Spinal injury at more than one level is not uncommon. Awareness of multilevel injury of the spine and associated neurological patterns is important for the proper initial management of the patient. Methods This was a prospective observational study carried out in Department of Orthopedics, Maharajgunj Medical Campus, Institute of Medicine, Tribhuvan University, Kathmandu, Nepal from February 2012 to September 2013. Sixty cases of age group between 18 to 63 years of traumatic spinal injury were enrolled. Patients were examined clinically and radiographically. Results Out of 60 patients, multilevel spinal injury occurred in 26 (43.3%) patients; 10 (16.67%) had contiguous spinal injury and 16 (26.67%) had non-contiguous spinal injury. There were 5 type A pattern spinal injury. Contiguous spinal injury most commonly occurred at level L1/L2 (n=4, 40%) and most had Frankel grade E neurology (n=6, 60%) followed by Frankel grade D (n=2, 20%). Non-contiguous lesions most commonly occurred at thoracic spine and had Frankel grade E neurology in most cases (n=10, 16.67%) followed by grade B and C (n= 2, 2.33% each). Conclusion Multiple spinal injury was a common pattern of injury, which occurred in 26 (43.3%) patients out of 60 patients enrolled in our study. Multilevel spinal injury is common. We should be aware about its occurrence. We should evaluate for multilevel spinal injuries, so as not to miss them, especialy non-contiguous injuries, in the patients presenting with spinal injury. [ABSTRACT FROM AUTHOR]

Objectives: The aim of the study is to explore the suitability of an empirical approach for the extended Hildebrand solubility approach (EHSA) to predict and correlate the solubility of the crystalline drug itraconazole (ITRA) in triacetin: water mixtures. Materials and Methods: The physicochemical properties of ITRA like fusion enthalpy, solubility parameter, and ideal mole fraction solubility were estimated. The solubilities of ITRA in mixed solvent blends comprising triacetin: water were determined at 298.15°K. Theoretical solubilities were back calculated using a polynomial regression equation of the interaction energy parameter W as a function of the solubility parameter (d1) of the solvent mixture. Similarly, the solubilities were predicted by direct method based on the use of logarithmic experimental solubilities (logX2) against the solubility parameter (d1) of the solvent mixture. The predictive capabilities of both EHSA and the direct method were compared using mean percent deviations. Results: The solubility of ITRA was increased in all the triacetin: water blends and was highest in the blend in which the solubility parameter of ITRA equaled that of the solvent mixture. The prediction capacities of the direct method (mean % deviation was -1.89%) were better than those of EHSA (mean % deviation was 9.76%) in the fifth order polynomial. Conclusion: The results indicated that the solubility of any crystalline solute can be adequately predicted and correlated with the mere knowledge of physicochemical properties and EHSA. The information could be of help in process and formulation development. [ABSTRACT FROM AUTHOR]

Background: Most comparative clinical trials are designed to assess the treatment effect for efficacy endpoints, with less emphasis on the analysis of safety outcomes. However, an extensive analysis of safety data could demonstrate beneficial results in terms of effectiveness by reducing serious adverse events (SAEs), and their unfavourable clinical impact on the study population. We aimed to conduct an exploratory analysis of the CHInese Medicine Neuroaid Efficacy on Stroke recovery (CHIMES) study safety database comparing the frequency of SAEs and their clinical impacts among subjects having received MLC601 or placebo during the first 3 months post-stroke. Methods: Analyses were performed by using the safety database of the multicentre, randomised, double-blind, placebo-controlled CHIMES study of 3 months of NeuroAiD versus placebo in subjects with acute ischaemic stroke of intermediate severity in the preceding 72 h. SAEs as reported by investigators at any time-point during the 3-month study were analysed on their frequency and that of any of their outcomes (death, and life threatening, new and/or prolonged hospitalisation, disability, and medical importance, in surviving subjects), as well as their time to onset and resolution. Results: Of the 1,099 subjects in the CHIMES study, 1,087 were included in the safety analysis (MLC601 = 542) and (placebo = 545); the 12 who did not receive study treatment were excluded. There was a total of 135 subjects with SAEs (MLC601 = 60, placebo = 75). At baseline, overall, subjects with SAEs were older and had lower MMSE score. In the MLC601 group, they had higher NIHSS score, and more frequently a history of ischaemic heart disease and hyperlipidaemia. The number of SAEs per subjects was statistically significantly lower in the MLC601 group than placebo one, especially for subjects with ≥2 SAEs (6.7 vs. 29.3%; p < 0.001). This benefit was seen throughout the study period and during the initial hospitalisation. The main clinical impact of SAEs was an increase in hospitalisation time, reduced in the MLC601 arm with the rate of subjects hospitalised for a prolonged period being significantly threefold lower in surviving subjects (1.1 vs. 3.7%; p < 0.01). Conclusions: This post hoc analysis of SAEs from the CHIMES study database shows that subjects receiving a 3-month course of MLC601 experienced fewer SAEs, with lower rates of harmful clinical impacts, especially in terms of hospitalisation duration. These findings could translate to a benefit in terms of reduction of both healthcare burden and additional medical costs. [ABSTRACT FROM AUTHOR]

NMDA receptors are considered as high profile therapeutic target in the treatment of pain and neurodegenerative diseases such as Alzheimer's, Huntington's and Parkinson's disease. NR2 subunit of NMDA receptor divided into four subunits i.e. NR2A, NR2B, NR2C and NR2D. Restricted distribution of NR2B subunit in the brain makes it potential target. In the present study, new structural insights into benzazepine derivatives as NR2B selective NMDA receptor antagonists have been reported using QSAR modelling. Total five QSAR models were developed using various statistical methods. 2D-QSAR models showed that chi3 and SsssNE-index descriptors are crucial for NMDA receptor antagonistic activity. Chi3 descriptor relates with non-hydrogen heteroatom connected with two or three bonds and SsssNE-index descriptor deals with Electrotopological state indices for number of nitrogen atom connected with three single bonds. Both the descriptors were negatively correlated with all the developed 2D-QSAR models. Significance of these descriptors is extensively studied in present work. In 3D-QSAR studies, steric and electrostatic fields were found to be important for antagonistic effect on NMDA receptors. 3D-QSAR studies clarify the substitution pattern of R group on nitrogen atom of benzazepine core. The substitutions with high electropositive with less or medium steric character are favourable for the activity. All developed models were critically validated to establish their reliability and accuracy for prediction of binding affinity of benzazepine derivatives towards NR2B subunit of NMDA receptor. The present study offered not only highly predictive and reliable QSAR models for benzazepine derivatives but also revealed some of the vital structural observations required for their higher binding affinity towards NR2B subunit of NMDA receptors. Image 1008 • A detailed QSAR studies offered new structural requirements for NMDA antagonistic activity. • Statistically robust and reliable 2D & 3D-QSAR models were developed. • Chi3 and SsssNE-index plays vital role for optimization of Benzazepine derivatives. [ABSTRACT FROM AUTHOR]

Clarithromycin is a commonly used antibiotic. Neuropsychiatric adverse effects are recognized, but the occurrence of seizures and status epilepticus (SE) has been rarely reported. We report the case of an elderly patient who developed generalized tonic-clonic seizures (GTCS) followed by nonconvulsive status epilepticus (NCSE), 2 days after starting clarithromycin. Other causes of seizures were excluded by magnetic resonance imaging (MRI) of the brain, CSF analysis, and routine laboratory studies, thus establishing the causal role of clarithromycin. Clarithromycin was stopped and parenteral antiepileptic drugs started, which controlled the status. In the elderly, symptoms like delirium, drowsiness, confusion, or seizures can occur due to an underlying systemic disease, brain pathology, or adverse effects of medications, all of which must be correctly differentiated. This case illustrates the occurrence of seizures and SE due to clarithromycin. Awareness about this possibility will help physicians recognize and treat such situations promptly. [ABSTRACT FROM AUTHOR]

The complexation of 2-thenoyltrifluoroacetone (HTTA) with trivalent lanthanides was studied in a room temperature ionic liquid, viz. 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (C4mim·Tf2N) by liquid–liquid extraction, absorption spectroscopy and time-resolved fluorescence spectroscopy. The metal ion distribution data indicated the extraction of anionic species of the type Ln(TTA)4−, where the charge balance of the C4mim·Tf2N phase is maintained by the transfer of one Tf2N− anion into the aqueous phase. Spectrophotometric titration of Nd3+ with HTTA indicated that the latter existed predominantly as the keto form in C4mim·Tf2N and did not form a complex with the metal ion. On the other hand, it formed complexes when TTA− salt was used where it predominantly existed in the enol form. Titration of Nd3+ with TTA− confirmed the formation of Nd(TTA)2+, Nd(TTA)2+, Nd(TTA)3° and Nd(TTA)4− species with the stability constant (log β) values of 5.82, 10.6, 14.5 and 17.8, respectively. Fluorescence measurements confirmed that the fully hydrated aqua Eu3+ cation in C4mim·Tf2N was completely dehydrated upon complexation with TTA−. Based on spectroscopic evidence, it was deduced that TTA− formed an 8 coordinated [Eu·(TTA)4]− anionic complex in C4mim·Tf2N. [ABSTRACT FROM AUTHOR]

• Two novel chromatography resins containing Bz-T-DGA ligands were prepared. • The resins showed exceptionally high metal ion uptake with only 7% ligand loading. • The resins poorly extracted U, Sr and Cs suggesting facile separation from Am, Pu, Np. • The resins can find application in the separation of actinide ions from nuclear waste. Two novel extraction chromatographic resins (EC), termed as RL-1 and RL-2, were prepared by impregnating two benzene-centered tripodal iglycolamide ligands (Bz-T-DGA) containing different spacer groups where the ligands are termed as L-1 and L-2, respectively. They were employed for the uptake of actinide and fission product ions, viz. Am3+, Eu3+, UO 2 2+, Np4+, Pu4+, Sr2+, and Cs+, from acidic feeds. Weight distribution coefficient (K d) values were measured by the batch method and the loaded metal ions were back extracted using a 0.01 M EDTA solution at pH 4. Kinetic modeling of the sorption data of Am(III) on both resins suggested pseudo-second order rate kinetics with rate constants of 1.68 × 10−6 and 2.47 × 10−6 g/cpm.min for the resins containing L-1 and L-2, respectively. Sorption isotherm studies indicated the Langmuir monolayer chemisorption phenomenon with Eu(III) experimentally determined saturation uptake capacities of 6.02 ± 0.11 and 5.49 ± 0.14 mg per g of RL-1 and RL-2 resins, respectively. As the batch uptake study results appeared encouraging, column studies were also carried out using both resins. The resin reusability data indicated a marginal change in the K d values for the RL-1 resin up to three repeat runs beyond which a steady decrease of the K d value was seen. On the other hand, in the case of RL-2 a steady decrease in the K d values was observed for three repeat runs beyond which there was marginal change. [ABSTRACT FROM AUTHOR]

A detailed study on solvent extraction and optical spectroscopy was performed to understand the extraction of trivalent actinides by the solutions of CMPO (octylphenyl-N,N-diisobutyl-carbamoyl methyl phosphine oxide) in a room temperature ionic liquid (RTIL), viz. 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide, [C4mim][NTf2]. Solvent extraction studies of Am(III) from nitric acid solution indicated an ion-exchange extraction mechanism. Slope analyses on the distribution data revealed that the stoichiometry of the extracted complex of Am3+/CMPO changed from 1:3 (Am/CMPO) in the absence of tri-n-butyl phosphate (TBP) to 1:2 in the presence of TBP. The distribution ratio values of Am(III) decreased significantly in the presence of TBP suggesting that the latter has an important role in the complexation of CMPO with the metal ion. The extraction of acid increased many folds in the presence of TBP as compared to the bare CMPO solution. The absorption and emission spectra of the extracted complex in RTIL differ significantly in the presence and absence of TBP, signifying the role of TBP in the CMPO-RTIL solvent. [ABSTRACT FROM AUTHOR]

VO(OiPr)3 is a useful precursor for the synthesis of a range of metal-doped polyoxovanadate (POV) cage compounds, its reactions with hydrated metal salts providing a route to arrangements containing Bi and other main group metals, transition metals and lanthanides. The new POV compounds [Bi2(DMSO)6V12O33Br]2[M(DMSO)6] (2Br-M, M = CoII, NiII, CuII, ZnII) [Bi2(DMSO)6V12O33Cl]2[Ca(DMSO)x]·yDMSO (2Cl-Ca), [Bi2(DMSO)6V12O33Cl]2[LnCl(DMSO)7] (2Cl-Ln, Ln = LaIII, CeIII, EuIII), [Bi2(DMSO)6V10O28F2]3[Bi(DMSO)5]2 (3), [V12O32(DMSO)][Gd(NO3)(DMSO)5.5]2 (4) and [Ln(DMSO)4V12O32Cl][LnCl(DMSO)7] (5Cl-Ln, Ln = CeIII, EuIII) have been structurally characterised, and their properties studied using UV-Vis spectroscopy and cyclic voltammetry. Drop-casting these compounds onto fluorine-doped tin oxide followed by calcination provides a simple approach to thin films of metal-doped BiVO4 or LnVO4, depending on the composition of the cage precursor. The applications of the BiVO4 films as photoanodes for water oxidation is explored, with transition metal doping of BiVO4 improving the activity (∼1.8–2.4 times the photocurrent density of undoped BiVO4 at 1.23 V vs. RHE) while lanthanide or Ca-doping is detrimental. [ABSTRACT FROM AUTHOR]

A color space plays an important role in color image processing and color vision applications. While compressing images/videos, properties of the human visual system are used to remove image details unperceivable by the human eye, appropriately called psychovisual redundancies. This is where the effect of the color spaces' properties on compression efficiency is introduced. In this work, we study the suitability of various color spaces for compression of images and videos. This review work is undertaken in two stages. Initially, a comprehensive review of the published color spaces is done. These color spaces are classified and their advantages, limitations, and applications are also highlighted. Next, the color spaces are quantitatively analyzed and benchmarked in the perspective of image and video compression algorithms, to identify and evaluate crucial color space parameters for image and video compression algorithms. [ABSTRACT FROM AUTHOR]

Management of open Lisfranc injuries is challenging. The improper management of the injuries might lead to bad results like skin necrosis and arthritis of Lisfranc's joints. A case of Myerson type A Gustilo Grade IIIB open Lisfranc injury was managed with single stage debridement and internal fixation. At three years follow-up, the result was excellent with American Orthopedic Foot and Ankle Society (AOFAS) midfoot score of 100 and the patient had rejoined his previous occupation requiring prolonged walking. [ABSTRACT FROM AUTHOR]

Hydrogen peroxide is a clear and odorless liquid at room temperature that can easily be mistaken for water. Its ingestion results in varied clinical and radiological squeals depending on the volume and concentration of the liquid. We present a case of a 22-year-old lady who accidentally ingested 30 to 40 mL of 3% hydrogen peroxide and presented with hematemesis and abdominal pain. On further radiological evaluation, she was found to have portal venous gas and pneumatosis of the bowel wall. She was conservatively managed with 100% oxygen and nil per os for 2 days following which the portal venous gas resolved. Hydrogen peroxide ingestion causes a massive release of oxygen and when its volume exceeds its solubility in blood, gas embolism occurs that is responsible for portal venous gas and pneumatosis. Close monitoring with conservative management will suffice in mild cases without the need for any therapeutic intervention. [ABSTRACT FROM AUTHOR]

The detection of antibodies before transplantation is an important step in assessment of patient immunological risk and exclusion of incompatible donors. Many centers have now implemented donor-specific antibody (DSA) along with complement-dependent cytotoxicity crossmatch (CDC XM) for renal transplant cases. A 34-year-old male with end-stage kidney disease was referred for an ABO-compatible transplant from his mother. The CDC XM done 30 days before transplant was negative. DSA XM was negative for Class I (median fluorescence intensity [MFI] 189) and positive for Class II (MFI 1671). Since CDC and DSA Class I were negative, the nephrologists went ahead with the transplantation. On day 6 posttransplant, serum creatinine showed a rising trend (up to 2.13 mg/dl), and therefore, renal biopsy was done which showed mild acute tubular necrosis with positive C4d staining. DSA XM performed on day 15 posttransplant showed negative Class I (MFI 148) and positive Class II (MFI 9987) confirming antibody-mediated rejection (AMR). The patient was started on steroids, and intravenous immunoglobulin and serial plasma exchanges were performed. Then, DSA Class II levels came down to 1602. DSA levels have been monitored periodically and Class II MFI values have been ranging from 2000 to 4000. The patient is maintained on routine immunosuppression, and a graft is intact with serum creatinine level between 1.7 and 1.8 mg/dl 8 months posttransplant. DSA-isolated Class II positivity in renal transplant recipients correlates strongly with AMR and should be considered clinically significant. [ABSTRACT FROM AUTHOR]

Mpox (formerly known as monkeypox) virus and some related poxviruses including smallpox virus pose a significant threat to public health, and effective prevention and treatment strategies are needed. This study utilized a reverse vaccinology approach to retrieve conserved epitopes for monkeypox virus and construct a vaccine that could provide cross-protection against related viruses with similar antigenic properties. The selected virulent proteins of monkeypox virus, MPXVgp165, and Virion core protein P4a, were subjected to epitope mapping for vaccine construction. Two vaccines were constructed using selected T cell epitopes and B cell epitopes with PADRE and human beta-defensins adjuvants conjugated in the vaccine sequence. Both constructs were found to be highly antigenic, non-allergenic, nontoxic, and soluble, suggesting their potential to generate an adequate immune response and be safe for humans. Vaccine construct 1 was selected for molecular dynamic simulation studies. The simulation studies revealed that the TLR8-vaccine complex was more stable than the TLR3-vaccine complex. The lower RMSD and RMSF values of the TLR8 bound vaccine compared to the TLR3 bound vaccine suggested better stability and consistency of hydrogen bonds. The Rg values of the vaccine chain bound to TLR8 indicated overall stability, whereas the vaccine chain bound to TLR3 showed deviations throughout the simulation. These results suggest that the constructed vaccine could be a potential preventive measure against monkeypox and related viruses however, further experimental validation is required to confirm these findings. [ABSTRACT FROM AUTHOR]

Rice blast disease, caused by the fungus Magnaporthe oryzae, poses a severe threat to rice production, particularly in Asia where rice is a staple food. Concerns over fungicide resistance and environmental impact have sparked interest in exploring natural fungicides as potential alternatives. This study aimed to identify highly potent natural fungicides against M. oryzae to combat rice blast disease, using advanced molecular dynamics techniques. Four key proteins (CATALASE PEROXIDASES 2, HYBRID PKS-NRPS SYNTHETASE TAS1, MANGANESE LIPOXYGENASE, and PRE-MRNA-SPLICING FACTOR CEF1) involved in M. oryzae's infection process were identified. A list of 30 plant metabolites with documented antifungal properties was compiled for evaluation as potential fungicides. Molecular docking studies revealed that 2-Coumaroylquinic acid, Myricetin, Rosmarinic Acid, and Quercetin exhibited superior binding affinities compared to reference fungicides (Azoxystrobin and Tricyclazole). High throughput molecular dynamics simulations were performed, analyzing parameters like RMSD, RMSF, Rg, SASA, hydrogen bonds, contact analysis, Gibbs free energy, and cluster analysis. The results revealed stable interactions between the selected metabolites and the target proteins, involving important hydrogen bonds and contacts. The SwissADME server analysis indicated that the metabolites possess fungicide properties, making them effective and safe fungicides with low toxicity to the environment and living beings. Additionally, bioactivity assays confirmed their biological activity as nuclear receptor ligands and enzyme inhibitors. Overall, this study offers valuable insights into potential natural fungicides for combating rice blast disease, with 2-Coumaroylquinic acid, Myricetin, Rosmarinic Acid, and Quercetin standing out as promising and environmentally friendly alternatives to conventional fungicides. These findings have significant implications for developing crop protection strategies and enhancing global food security, particularly in rice-dependent regions. [ABSTRACT FROM AUTHOR]

The rapid advances in computational methods for the drug design have resulted in the accurate predictions of biological activities of ligands with or without the availability of enzyme structures. 3D-QSAR is one of the computational methods used for such purpose. Currently, freely available 3D-QSAR methods suffer the limitations like complex methodologies, difficulty in the analysis of results, applying the statistical methods and validations of models built. Present work describes simple and novel 3D-QSAR methodology, which uses bash scripts LQTA_R_LJ, LQTA_R_QQ and LQTA_R_HB using freely available R statistical program. These scripts then generate Leenard-Jones, Coulomb and Hydrogen bond descriptors. These descriptors provide the steric 3D property, electrostatic property and hydrogen bond formation capacity respectively. These scripts have been tested for the set of DGAT1 inhibitors and results showed that the 3D-QSAR models built have better predictive abilities in terms of R 2 0.735, Q 2 loo 0.635 and R 2 ext 0.715. The 3D-QSAR model suggested that the substitutions of the alkyl group at the oxadiazolyl ring at the 6th position of the pyrrolo-pyridazine ring is undesirable, on the contrary, substituted phenyl ring at 7th position is responsible for the improved DGAT1 inhibitory activity. The analysis also suggested that 6th position could be substituted with the oxadiazolyl ring or analogous heterocyclic rings, where the 3rd position of such heterocyclic rings substituted with rigid hydrophobic substitute can improve DGAT1 activity. [ABSTRACT FROM AUTHOR]

An efficient method for plant regeneration via callus formation has been developed in pigeonpea using two varieties as BDN-2 and GT-101. Three different explants viz. leaf, hypocotyl and root excised from 15-20 days old in vitro raised seedlings were cultured on basal MS medium. Greenish coloured callus were observed using various media according to explants. More shoots were found in MS + 1.0 mg/l NAA + 4.0 mg/l Adenine and roots on Elongated shoots in MS + 1.0 mg/l IAA media. Rooted plants were transferred in pot for acclimatization. [ABSTRACT FROM AUTHOR]

Background: Visceral leishmaniasis (VL) is a deadly vector-borne disease. Approximately 90% of Indian VL cases occur in Bihar, where the sand fly, Phlebotomus argentipes, is the principal vector. Sand fly control in Bihar consists of indoor residual spraying (IRS), the practice of spraying the inner walls of village dwellings with insecticides. Prior researchers have evaluated success of IRS-control by estimating vector abundance in village houses, but the number of sampling periods (n = 2–3) were minimal, and outdoor-resting P. argentipes were neglected. We describe a large-scale field study, performed in 24 villages within two Bihari districts, during which P. argentipes were collected biweekly over 47-weeks, in cattle enclosures, houses, and outdoors in peri-domestic vegetation. The objectives of this study were to provide updated P. argentipes ecological field data, and determine if program-initiated IRS-treatment had led to noticeable differences in vector abundance. Principal findings: P. argentipes (n = 126,901) relative abundance was greatest during the summer months (June-August) when minimum temperatures were highest. P. argentipes were most frequently collected from cattle enclosures (~46% total; ~56% blood fed). Many sand flies were found to have taken blood from multiple sources, with ~81% having blood fed on humans and ~60% blood feeding on bovines. Nonparametric statistical tests were determined most appropriate for evaluating IRS-treatment. Differences in P. argentipes abundance in houses, cattle enclosures and vegetation were detected between IRS-treated and untreated villages in only ~9% of evaluation periods occurring during the peak period of human-vector exposure (June-August) and in ~8% of the total observations. No significant differences were detected between the numbers of P. argentipes collected in vegetation close to the experimental villages. Conclusion: The results of this study provide updated data regarding P. argentipes seasonal abundance, spatial distribution, and host preferances, and suggest vector abundance has not significantly declined in IRS-treated villages. We suggest that IRS be supplemented with vector control strategies targeting exophagic, exophilic P. argentipes, and that disease surveillance be accompanied by rigorous vector population monitoring. [ABSTRACT FROM AUTHOR]

The sparsity of examination of seismic passive earth pressure acting on retaining wall holding soil backfill with full submergence, which is more common in waterfront areas, can be noticed from the literature. In the current study, a closed-form solution to compute the seismic passive earth pressure on nonvertical rigid retaining wall retaining a backfill with full submergence is proposed using the modified pseudo-dynamic approach. A nonlinear rupture surface (logarithmic spiral + straight line) in a submerged backfill of viscoelastic nature has been assumed. The presented modified pseudo-dynamic method overcomes the limitations of the existing pseudo-dynamic method for submerged soils. The proposed methodology has been thoroughly validated with the available literature. The influences of seismic acceleration coefficients, excess pore water pressure ratio, wall inclination, and soil and wall friction angles have been studied. It has been noticed that the consideration of excess pore pressure ratio leads to significant decrease in seismic passive resistance of the soil which in turn lead to extra hydraulic pressure acting on the wall in submerged backfill. There is a 57% decrease in seismic passive earth pressure coefficient as the wall inclination changes from −15° to 15°. [ABSTRACT FROM AUTHOR]

• Hybrid paraffin-halloysite-ethylene glycol phase change micro capsules are prepared. • The impact of PHEg micro-capsules on tested building's energy usage was studied. • Experiment was successfully predicted by using modified teaching and learning model. In this study, the influence of hybrid phase change materials on the energy consumption of air-conditioning units installed to maintain a comfortable temperature inside the testing room was experimentally studied and numerically analyzed. The Paraffin, Halloysite and Ethylene glycol microcapsules were combined to form PHEg filler materials. These PHEg phase change materials were further mixed into a normal Portland cement mortar to prepare 5 different phase change material mortars. Based on the prepared motors, a pair of 1.22 m × 1.22 m × 0.2 m size test specimens were prepared to experiment. After testing the specimens with various outside temperatures, the energy consumed by an air-conditioning unit was reported. There was a 20–22% reduction in energy consumption recorded while testing with phase change material mortar specimens than normal cement mortar. Also, the results proved that the energy consumption of the air-conditioning unit could be reduced further by 10% when the outdoor temperature dropped to below 24 °C. In addition, the performances of prepared samples were predicted using a modified deep neural network model. The developed model accumulated 99.867% accuracy and a maximum of 0.1607 mean absolute error and 0.0172 root mean square error, better than several existing neural network models. [ABSTRACT FROM AUTHOR]

Synthesis of 2-aryl substituted benzoxazoles, benzothiazoles, and quinoxalinones via decarboxylative coupling of α-keto acids with 2-aminophenol, 2-aminothiophenol, and OPD (o-phenylenediamine), using K2CO3 as a base in water at room temperature, and as well as solvent-free grinding and the synthesis of benzoxazinones from the reaction of α-keto acids with 2-aminophenol at 60 °C have been reported. Both the protocols afforded a wide range of desired products with excellent functional group tolerance in yields of 87-99%. The major advantages of these approaches are catalyst-free protocol, short reaction times, straightforward workup, and chromatographyfree processing of the products. Additionally, to test the translational demand of this methodology, the synthesis of 2-(3,5-dichlorophenyl)- 6-methylbenzo[d]oxazole was carried out which is a key structure of tafamidis, a commercially available drug. [ABSTRACT FROM AUTHOR]

Extraction behaviour of trivalent americium and europium was investigated with 1-phenyl-3-methyl-4-acetyl-5-pyrazolone (HPMAP) and tri-n-octylphosphine oxide (TOPO) in a room-temperature ionic liquid, 1-methyl-3-octyl-imidazolium bis(trifluoromethylsulphonyl) imide (C8mim·Tf2N). In select cases, comparison was made using xylene, a molecular diluent. For binary extraction studies involving only PMAP, Eu3+was marginally better extracted than Am3+and the species extracted into C8mim·Tf2N conformed to species of the type M(PMAP)3(where M = Am or Eu). On the other hand, cationic species were extracted for the ternary extraction systems involving HPMAP and TOPO. Luminescence spectroscopic studies suggested no inner-sphere water molecules in the extracted species. The luminescence decay lifetime showed mono-exponentials, suggesting the extraction of single species. [ABSTRACT FROM PUBLISHER]

Comparison among the structurally similar analogous or isomeric novel homologous series of presently investigation is discussed with a view to understand the effect and relation between molecular structure in respect of molecular size, geometrical shape, molecular polarity and polarizability etc as emerged from changing molecular rigidity and flexibility which is played by terminal or central bridge to inducing liquid crystal property and the specific degree of mesomorphism of a substance. Novel series of study consists of three phenyl rings, two central bridges ‒COO‒, ‒CH˭CH‒COO‒, ‒COO‒CH2‒, ‒CH˭CH‒COO‒CH2‒ with common left n-alkoxy (‒O‒CnH2n + 1) left terminal group which vary from homologue to homologue in the same series and varying tail end group –Cl and –Br. Novel members of series were selectively characterized and confirmed by elemental analysis, IR spectra, H1NMR spectra, mass spectra, POM, textures of smectic or/and nematic phase by miscibility method etc. Totally 66 novel compounds were synthesized and 55 compounds were to be found liquid crystal (LC) in nature with different degree of mesomorphism depending upon changing molecular structure in respect of their tailed flexible end groups or central bridges. [ABSTRACT FROM AUTHOR]

By using the modified pseudo-dynamic method for submerged soils this paper explores the seismic stability of seawall for the active condition of earth pressure. Different forces such as seismic active earth pressure, seismic inertia forces of the wall, non-breaking wave pressure, hydrostatic and hydrodynamic pressures are considered in the stability analysis. Limit equilibrium has been used, and expressions for the factor of safety against sliding and overturning mode of failure have been proposed. The proposed methodology overcomes the limitations of existing pseudo-dynamic method for submerged soils. A detailed parametric study has been conducted by varying different parameters and results are presented in the form of design charts for computation of factor of safety against sliding and overturning mode of failures. It was noticed that the influences of soil friction angle, seismic acceleration coefficient, wall inclination and excess pore pressure are significant when compared to the other parameters. The value of factor of safety against the sliding mode of failure is increasing by about 62% when the value of soil frictional angle is increased from 30° to 40°. It was also found that the factor of safety against overturning mode of failure is decreasing by about 22% as the value of excess pore pressure ratio increases from 0 to 0.75. The proposed method with closed-form solutions can be used for the seismic design of seawalls. [ABSTRACT FROM AUTHOR]

The appropriate estimation of seismic earth pressures acting on retaining walls supporting submerged backfill is an important area of research in earthquake geotechnical engineering. There is a scarcity of research work on retaining walls with submerged soil under seismic conditions in the literature. In this paper, closed-form generalized solutions for computing seismic active earth thrust and its distribution on nonvertical rigid retaining walls with fully submerged backfill are proposed using the modified pseudodynamic approach. The seismic analysis of retaining walls was carried out with a planar rupture surface in viscoelastic submerged backfill. The proposed modified pseudodynamic analysis satisfied the zero-stress-boundary condition on a free surface and considered the standing shear and primary waves, soil damping, amplification in the backfill, and an excess pore-pressure ratio in the backfill. Adetailed parametric study was performed to gain an understanding of the effects of different parameters, including the horizontal seismic acceleration coefficient, excess pore-water-pressure ratio, period of lateral shaking, damping ratio, wall inclination, and soil-friction and wall-friction angles. A comparison of the present study results and the existing analytical and experimental studies resulted in good agreement. [ABSTRACT FROM AUTHOR]

Composite polymeric beads (CPBs) containing bis(octyloxy)calix[4]arene-monocrown-6 (BOCMC), room temperature ionic liquid, and polysulfone were prepared by a phase inversion technique for the selective separation of radiocesium from aqueous feeds. The CPBs displayed excellent stability with respect to the leaching of BOCMC. Experimental sorption data indicated that maximum sorption of cesium occurred within the aqueous phase of pH 4-10. However, the sorption kinetics was slow, and about 2 h of equilibration was necessary for obtaining the equilibrium conditions. The sorption kinetics data could be best fitted in the pseudo-second-order kinetics rate equation and interparticle diffusion model. The metal-ion sorption onto the beads followed the Langmuir monolayer sorption phenomenon with a cesium ion sorption capacity of 1.56 ± 0.03 mg per 1 g of CPBs. The Langmuir chemisorption process was validated from the sorption energy obtained from the Dubinin-Radushkuvich and Temkin isotherm models. In a bid to apply the sorption data for real samples, column studies were subsequently carried out. The polymeric beads, tested for the sorption of cesium from natural water samples, yielded excellent results. Trace amounts of cesium were preconcentrated from a synthetic feed of 1 L to a few millileters (volume reduction factor >100) using a column prepared by packing the CPBs with an overall recovery of 97.4%. [ABSTRACT FROM AUTHOR]

• Two aza-macrocycle based multiple DGA ligands were used for the extraction of Np(IV) and Np(VI) from nitric acid feeds. • Room temperature ionic liquid, used as the diluent, resulted in improved metal ion extraction. • The extraction of Np(IV) was significantly higher than that of Np(VI) based on its higher ionic potential. • The bonding in the extracted species was explained by DFT and spectrophotometric analysis. • Extraction of Np4+ is by 'cation-exchange' mechanism, whereas NpO 2 2+ extraction is by a 'solvation' mechanism. Complexation of Np4+ and NpO 2 2+ ions was studied in a room temperature ionic liquid (C 8 mim•NTf 2) using two multiple diglycolamide (DGA) ligands with three and four DGA arms tethered to the nitrogen atoms of the aza-9-crown-3 and -12-crown-4 scaffolds termed as L I and L II , respectively. The studies include solvent extraction, UV–visible spectrophotometry, cyclic voltammetry, and density functional theory (DFT). While the extraction of NpO 2 2+ ion, as a function of the nitric acid concentration, resembled that of the 'solvation' mechanism, seen in case of neutral donor ligands in molecular diluent, an opposite trend was observed for the Np4+ ion suggesting a 'cation-exchange' mechanism often operating in the case of ionic liquid-based solvent systems. Slope analysis suggested formation of Np(NO 3)]3+•L and NpO 2 (NO 3) 2 •L extracted species for the extraction of Np4+ and NpO 2 2+, respectively, in both the ligand systems. The complexation of the metal ions was supported by peak shifts in the UV–visible spectrophotometric as well as cyclic voltammetric studies. DFT studies were carried out to get structural information of the complexes. [ABSTRACT FROM AUTHOR]

• Four diglycolamide based resins containing an ionic liquid were used for REEs uptake study. • The K d values were extremely high and were close to 5 × 104 to 1 × 105 depending on the Ln(III) ion. • Increasing the alkyl chain length of the diglycolamide ligand increased the uptake efficiency. • The column studies with the mixture of Ln(III) ions showed competitive uptake profiles. • The elution peaks were sharp with >90% elution in very low elution volume (∼3 mL). A comparative study on the uptake of several rare earth element (REE) ions viz. La(III), Ce(III), Pr(III), Nd(III), Sm(III), Gd(III) and Dy(III) was carried out from nitric acid feeds using four extraction chromatography resins which contained the diglycolamide (DGA) ligands, N,N,N',N' -tetra- n -alkyldiglycolamide with n -pentyl (TPDGA), n -hexyl (THDGA), n -octyl (TODGA) and n -decyl (TDDGA) groups taken in a room temperature ionic liquid (C 4 mim·NTf 2). The uptake of the lanthanides followed the trend: La(III) < Ce(III) < Pr(III) < Nd(III) < Sm(III) < Gd(III) < Dy(III), which is similar to their ionic potential values and the uptake trend of the resins was TPDGA > THDGA > TODGA > TDDGA. The uptake of the metal ions was very high (>104 g/mL) for all the lanthanide ions and was found to increase with increasing nitric acid concentrations. Based on the encouraging batch data, column studies were carried out with all the four extraction chromatography resins with the lanthanide ions used in this work. The column studies were carried out with both individual lanthanide ions and their mixtures. While the loading studies were carried out with 80 mg/L solutions of the metal ions (with respect to each of those) in the mixture of REEs, the elution studies were carried out using a solution of 0.05 M EDTA in 1 M guanidine carbonate. For the column studies involving individual REEs, 550 mg/L solutions were used. The elution profiles appeared to be sharp as >95% elution of the metal ions was accomplished in only 3 mL of the eluent which amounted to only 1.6 bed volumes which is highly impressive. When the studies were carried out with the mixture of the lanthanide ions, the breakthrough of Dy(III) was last while that of La(III) was seen at much lower volumes which was dependent on the nature of the extractant in the resins. [ABSTRACT FROM AUTHOR]

• Three tripodal diglycolamide extractants were evaluated for the extraction of Np(IV and Np(VI) • The studies using ionic liquids resulted in higher extraction as compared to those in molecular diluents. • The benzene based tripodal was the most efficient and extraction of Np(IV) was much higher than that of Np(VI) • The nature of the extracted species was determined by slope analysis and structural models are given. • The bonding in the extracted species was studied by Vis-NIR spectroscopy and cyclic voltammetry. Complexation of Np(IV) and Np(VI) ions was studied in a room temperature ionic liquid (C 4 mim.NTf 2) using three tripodal ligands with an 'N' atom, a 'C' atom and a benzene ring at the center, which are termed as L I , L II and L III , respectively. The studies include solvent extraction, visible-near infrared (vis-NIR) spectroscopy, and cyclic voltammetry. The trend of the extraction of Np4+ was L III > L II > L I , which resembled that reported before in a mixture of molecular diluents but with about 10 times higher ligand concentration. Np(VI) was extracted to a much lower extent than Np(IV). Slope analysis of Np(IV) extraction suggested formation of Np(NO 3) 4.L species for L II and L III , while a cationic species of the type [Np(NO 3) 2.L]2+ was seen for L I. On the other hand, for Np(VI), formation of NpO 2 (NO 3) 2. L species was proposed for L I and L III and [NpO 2 (NO 3). L ]+ for L II. All the extracted species conform to a 'solvation' type extraction except for Np(IV) with L I and Np(VI) with L II which point to a 'cation-exchange' mechanism. The complexation of the metal ions with the tripodal ligands was supported by peak shifts in the vis-NIR as well as the cyclic voltammetric studies. [ABSTRACT FROM AUTHOR]

• Radiation stability of two extraction chromatography resins containing TPDGA and TODGA in C 4 mimNTf 2 was evaluated. • The resins were irradiated to a maximum of 1000 kGy absorbed gamma ray dose which showed no change by SEM or FTIR. • The resins showed very high uptake efficiency for Am(III) and Eu(III) which was not affected till 300 kGy. • The dry and wet resin (3 M HNO 3) resulted no change in the metal ion uptake suggesting no role of acid degradation products. • Column studies showed very encouraging results even with 1000 kGy exposure and only about 2.3 bed volumes were needed for >95% recovery. The radiation stability of two extraction chromatography resins containing diglycolamide ligands viz. TPDGA (N,N,N',N' -tetra- n -pentyl diglycolamide) and TODGA (N,N,N',N' -tetra- n -octyl diglycolamide) in a room temperature ionic liquid (C 4 mim.NTf 2) was studied by exposing to gamma rays from a 60Co source. The resins were irradiated to varying gamma ray dose up to 1000 kGy where both the dry resins and wet resins (containing a fixed amount nitric acid in contact) were used. The performance assessment of the resins was done by physicochemical characterization as well as uptake studies; both by batch as well as column methods. The physicochemical characterization of the resins was done using FTIR analysis while the surface morphology of the resins was carried out by scanning electron microscopy. The uptake of the metal ions, typically that of Am(III) and Eu(III), representing the trivalent actinides and lanthanides was studied by batch method. The dry resins and those in contact with nitric acid yielded nearly identical results suggesting minimal effect of the radiolytic products of nitric acid on the resin performance. There was negligible change in the K d values up to an absorbed dose of 300 kGy beyond which there was sharp decrease. However, the K d values were still quite large even after an absorbed dose of 1000 kGy. The column performance of the irradiated resins was also assessed by the uptake and elution of Eu(III) ion and though loading was affected, the elution behavior was found to have insignificant effect. [ABSTRACT FROM AUTHOR]

This paper reports various critical processing parameters for the development of efficient ZnS doped with Cu, Al phosphors optimized to exhibit AC electroluminescence. Different firing atmospheres and temperatures were used for the synthesis of electroluminescent phosphor materials. As synthesized ZnS: Cu, Al phosphor powders were characterized by X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), and Photoluminescence (PL) and Electroluminescence (EL) spectroscopy studies. Average crystallite size calculated from XRD lies in a range of 44–49 µm and average grain size as revealed by SEM lies in the range 3–5 µm. The results showed that the phosphor powders have hexagonal phase and exhibit near band edge luminescence in the blue region. This is one of very few reports that depict the observation of EL from hexagonal ZnS:Cu,Al phosphor system. Polycrystalline powders emit PL in a broad band with a maximum at 2.53–2.74 eV above the valence band. The PL spectrum of the ZnS:Cu,Al phosphor showed emission peaks at 453 nm, 467 nm, 485 nm and 490 nm that could be attributed to the generation of deep level energy traps. The prototype of an alternating current driven thick (40±2 µm) film EL device has been fabricated and the threshold voltage was observed to be around 95–120 V at a frequency of 1 kHz. The critical processing parameters for designing an efficient EL device have been highlighted and discussed thoroughly in the current paper. [ABSTRACT FROM AUTHOR]

Extraction behaviour of trivalent actinides and lanthanides was studied using solutions of 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (HPMBP), a beta-diketone, in a room temperature ionic liquid, 1-methyl-3-octyl-imidazolium bis(trifluoromethylsulphonyl) imide (C 8 mim·Tf 2 N). The complex extracted into C 8 mim·Tf 2 N differs in its composition than those observed in molecular diluents such as benzene. Whereas, neutral ML 3 complex is predominant in molecular diluents, a positively charged complex, [ML 2 ·HL] + (where M = La 3 + , Eu 3 + , Lu 3 + and Am 3 + ; L = PMBP − ; HL = HPMBP), was identified to be extracted into the ionic liquid medium. Luminescence spectroscopic studies suggested presence of four inner-sphere water molecules in the extracted species. This paper reports for the first time the stability constant of a lanthanide (Nd 3 + ) complex with HPMBP in C 8 mim·Tf 2 N which are significantly larger than those reported in molecular diluents. Thermodynamic parameters were also determined to throw light on the nature of complexation. [ABSTRACT FROM AUTHOR]