Exploring Immune Redox Modulation in Bacterial Infections: Insights into Thioredoxin-Mediated Interactions and Implications for Understanding Host-Pathogen Dynamics.

Bacterial infections trigger a multifaceted interplay between inflammatory mediators and redox regulation. Recently, accumulating evidence has shown that redox signaling plays a significant role in immune initiation and subsequent immune cell functions. This review addresses the crucial role of the thioredoxin (Trx) system in the initiation of immune reactions and regulation of inflammatory responses during bacterial infections. Downstream signaling pathways in various immune cells involve thiol-dependent redox regulation, highlighting the pivotal roles of thiol redox systems in defense mechanisms. Conversely, the survival and virulence of pathogenic bacteria are enhanced by their ability to counteract oxidative stress and immune attacks. This is achieved through the reduction of oxidized proteins and the modulation of redox-sensitive signaling pathways, which are functions of the Trx system, thereby fortifying bacterial resistance. Moreover, some selenium/sulfur-containing compounds could potentially be developed into targeted therapeutic interventions for pathogenic bacteria. Taken together, the Trx system is a key player in redox regulation during bacterial infection, and contributes to host-pathogen interactions, offering valuable insights for future research and therapeutic development.

Biogenic synthesis, characterization, and in vitro biological investigation of silver oxide nanoparticles (AgONPs) using Rhynchosia capitata.

The current research aimed to study the green synthesis of silver oxide nanoparticles (AgONPs) using Rhynchosia capitata (RC) aqueous extract as a potent reducing and stabilizing agent. The obtained RC-AgONPs were characterized using UV, FT-IR, XRD, DLS, SEM, and EDX to investigate the morphology, size, and elemental composition. The size of the RC-AgONPs was found to be ~ 21.66 nm and an almost uniform distribution was executed by XRD analysis. In vitro studies were performed to reveal biological potential. The AgONPs exhibited efficient DPPH free radical scavenging potential (71.3%), reducing power (63.8 ± 1.77%), and total antioxidant capacity (88.5 ± 4.8%) to estimate their antioxidative power. Antibacterial and antifungal potentials were evaluated using the disc diffusion method against various bacterial and fungal strains, and the zones of inhibition (ZOI) were determined. A brine shrimp cytotoxicity assay was conducted to measure the cytotoxicity potential (LC50: 2.26 µg/mL). In addition, biocompatibility tests were performed to evaluate the biocompatible nature of RC-AgONPs using red blood cells, HEK, and VERO cell lines (< 200 µg/mL). An alpha-amylase inhibition assay was carried out with 67.6% inhibition. Moreover, In vitro, anticancer activity was performed against Hep-2 liver cancer cell lines, and an LC50 value of 45.94 µg/mL was achieved. Overall, the present study has demonstrated that the utilization of R. capitata extract for the biosynthesis of AgONPs offers a cost-effective, eco-friendly, and forthright alternative to traditional approaches for silver nanoparticle synthesis. The RC-AgONPs obtained exhibited significant bioactive properties, positioning them as promising candidates for diverse applications in the spheres of medicine and beyond.

Genomic Exploration: Unraveling the Intricacies of Indica Rice Oryza sativa L. Germin-Like Protein Gene 12-3 (OsGLP12-3) Promoter via Cloning, Sequencing, and In Silico Analysis.

Germin and Germin-like proteins (GLPs) are a class of plant proteins that are part of the Cupins superfamily, found in several plant organs including roots, seeds, leaves, and nectar glands. They play a crucial role in plant defense against pathogens and environmental stresses. Herein, this study focused on the promoter analysis of OsGLP12-3 in rice cultivar Swat-1 to elucidate its regulation and functions. The region (1863bp) of the OsGLP12-3 promoter from Swat-1 genomic DNA was amplified, purified, quantified, and cloned using Topo cloning technology, followed by sequencing. Further in silico comparative analysis was conducted between the OsGLP12-3 promoters from Nipponbare and Swat-1 using the Plant CARE database, identifying 24 cis-acting regulatory elements with diverse functions. These elements exhibited distinct distribution patterns in the 2 rice varieties. The OsGLP12-3 promoter revealed an abundance of regulatory elements associated with biotic and abiotic stress responses. Computational tools were employed to analyze the regulatory features of this region. In silico expression analysis of OsGLP12-3, considering various developmental stages, stress conditions, hormones, and expression timing, was performed using the TENOR tool. Pairwise alignment indicated 86% sequence similarity between Nipponbare and Swat-1. Phylogenetic analysis was conducted to explore the evolutionary relationship between the OsGLP12-3 and other plant GLPs. Additionally, 2 unique regulatory elements were modeled and docked, GARE and MBS to understand their hydrogen bonding interactions in gene regulation. The study highlights the importance of OsGLP12-3 in plant defense against biotic and abiotic stresses, supported by its expression patterns in response to various stressors and the presence of specific regulatory elements within its promoter region.

Highly Selective and Scalable Molecular Fluoride Sensor for Naked-Eye Detection.

Fluoride is widely present in nature, and human exposure to it is generally regarded as inevitable. High levels of fluoride intake induce acute and chronic illnesses. To reduce potential harm to the general public, it is essential to create selective fluoride detectors capable of providing a colorimetric response for naked-eye detection without the need for sophisticated equipment. Here, we report a one-pot synthesis of four different diaminomaleonitrile-derived Schiff base sensors. The terephthalaldehyde adduct provided a strong color change visible to the naked eye at a F- concentration level as low as 2 ppm. From the evaluation against other anions, such as CN-, I-, Br-, Cl-, NO3-, PO43-, OAc-, and HSO4-, the molecular sensor displayed a visible color change exclusively upon exposure to fluoride, underscoring exceptional selectivity. As a key intermediate for understanding the mechanism, HF2- was confirmed by 19F nuclear magnetic resonance. Theoretical calculations suggested a deprotonation-triggered bathochromic shift brought about by the unique electronic structure of the sensor. Furthermore, the simple synthetic protocol from economically accessible materials allowed for the preparation of the compound on a large scale, rendering it a highly practical visual fluoride sensor.

Impact of Resorcinol and Biochar Application on the Growth Attributes, Metabolite Contents, and Antioxidant Systems of Tomato (Lycopersicon esculentum Mill.).

Climate variability has been a catalytic factor in inducing both biotic and abiotic stresses, exerting detrimental impacts on crop yields. This, in turn, leads to the manifestation of biochemical and physiological impairments within plant systems. This study aimed to evaluate the effects of different concentrations of resorcinol and biochar on tomato (Lycopersicon esculentum Mill.) growth, primary and secondary metabolites, and antioxidant enzyme content levels. Biochar was synthesized from Cedrus deodara (Roxb. ex D. Don) G. Don, sawmill shavings using pyrolysis and subjected to comprehensive characterization employing contemporary techniques including scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD) analysis, Fourier transform infrared (FTIR) spectroscopy, and UV-vis spectroscopy (UV). Both resorcinol at 0.1 µM/L and biochar at 30 mg/L significantly enhanced tomato seed germination and plant growth, promoting increased shoot/root length and fresh/dry weights in tomato plants compared to controls. This supplementation also amplifies tomato chlorophyll contents, growth metabolites, and antioxidant enzyme activities, contributing to robust plant development. Resorcinol at 0.1 µM/L concentration significantly enhanced total protein (79.9 µg/g), total phenol (58.8 µg/g), total proline (0.03 µg/g), total lipid (3.8 µg/g), total soluble sugar (42.5 µg/g), and flavonoid (0.09 µg/g) as compared to control. Biochar at 30 mg/L concentration showed maximum values of total protein (92.1 µg/g), total phenol (61.3 µg/g), total proline (0.03 µg/g), total lipid (5.5 µg/g), total soluble sugar (48.9 µg/g), and flavonoid (0.08 µg/g). This research indicated that foliar application of these specific concentrations of resorcinol and biochar has the ability to improve tomato plant growth, osmolytes, and antioxidant activity.

The developments of cyan emitting phosphors to fulfill the cyan emission gap of white-LEDs.

Future generations of solid-state lighting (SSL) will prioritize the development of innovative luminescent materials with superior characteristics. The phosphors converted into white light-emitting diodes (white LEDs) often have a blue-green cavity. Cyan-emitting phosphor fills the spectral gap and produces "full-visible-spectrum lighting." Full-visible spectrum lighting is beneficial for several purposes, such as light therapy, plant growth, and promoting an active and healthy lifestyle. The design of cyan garnet-type phosphors, like Ca2LuHf2Al3O12 (CLHAO), has recently been the subject of interest. This review study reports a useful cyan-emitting phosphor based on CLHAO composition with a garnet structure to have a cyan-to-green emitting color with good energy transfer. It could be employed as cyan filler in warm-white LED manufacturing. Due to its stability, ability to dope with various ions suitable for their desired qualities, and ease of synthesis, this garnet-like compound is a great host material for rare-earth ions. The development of CLHAO cyan-emitting phosphors has exceptionally high luminescence, resulting in high CRI and warm-white LEDs, making them a viable desire for LED manufacturing. The development of CLHAO cyan-emitting phosphors with diverse synthesis techniques, along with their properties and applications in white LEDs, are extensively covered in this review paper.

Biogenic Synthesis of Multifunctional Silver Oxide Nanoparticles (Ag2ONPs) Using Parieteria alsinaefolia Delile Aqueous Extract and Assessment of Their Diverse Biological Applications.

Green nanotechnology has made the synthesis of nanoparticles a possible approach. Nanotechnology has a significant impact on several scientific domains and has diverse applications in different commercial areas. The current study aimed to develop a novel and green approach for the biosynthesis of silver oxide nanoparticles (Ag2ONPs) utilizing Parieteria alsinaefolia leaves extract as a reducing, stabilizing and capping agent. The change in color of the reaction mixture from light brown to reddish black determines the synthesis of Ag2ONPs. Further, different techniques were used to confirm the synthesis of Ag2ONPs, including UV-Visible spectroscopy, Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscope (SEM), Energy-dispersive X-ray spectroscopy (EDX), zeta potential and dynamic light scattering (DLS) analyses. The Scherrer equation determined a mean crystallite size of ~22.23 nm for Ag2ONPs. Additionally, different in vitro biological activities have been investigated and determined significant therapeutic potentials. Radical scavenging DPPH assay (79.4%), reducing power assay (62.68 ± 1.77%) and total antioxidant capacity (87.5 ± 4.8%) were evaluated to assess the antioxidative potential of Ag2ONPs. The disc diffusion method was adopted to evaluate the antibacterial and antifungal potentials of Ag2ONPs using different concentrations (125-1000 µg/mL). Moreover, the brine shrimp cytotoxicity assay was investigated and the LC50 value was calculated as 2.21 µg/mL. The biocompatibility assay using red blood cells (<200 µg/mL) confirmed the biosafe and biocompatible nature of Ag2ONPs. Alpha-amylase inhibition assay was performed and reported 66% inhibition. In conclusion, currently synthesized Ag2ONPs have exhibited strong biological potential and proved as an attractive eco-friendly candidate. In the future, this preliminary research work will be a helpful source and will open new avenues in diverse fields, including the pharmaceutical, biomedical and pharmacological sectors.

Porous Organic Cages.

Porous organic cages (POCs) are a relatively new class of low-density crystalline materials that have emerged as a versatile platform for investigating molecular recognition, gas storage and separation, and proton conduction, with potential applications in the fields of porous liquids, highly permeable membranes, heterogeneous catalysis, and microreactors. In common with highly extended porous structures, such as metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and porous organic polymers (POPs), POCs possess all of the advantages of highly specific surface areas, porosities, open pore channels, and tunable structures. In addition, they have discrete molecular structures and exhibit good to excellent solubilities in common solvents, enabling their solution dispersibility and processability─properties that are not readily available in the case of the well-established, insoluble, extended porous frameworks. Here, we present a critical review summarizing in detail recent progress and breakthroughs─especially during the past five years─of all the POCs while taking a close look at their strategic design, precise synthesis, including both irreversible bond-forming chemistry and dynamic covalent chemistry, advanced characterization, and diverse applications. We highlight representative POC examples in an attempt to gain some understanding of their structure-function relationships. We also discuss future challenges and opportunities in the design, synthesis, characterization, and application of POCs. We anticipate that this review will be useful to researchers working in this field when it comes to designing and developing new POCs with desired functions.

Rosmarinic acid and its derivatives: Current insights on anticancer potential and other biomedical applications.

Cancer is still the leading cause of death worldwide, burdening the global medical system. Rosmarinic acid (RA) is among the first secondary metabolites discovered and it is a bioactive compound identified in plants such as Boraginaceae and Nepetoideae subfamilies of the Lamiaceae family, including Thymus masticmasti chinaythia koreana, Ocimum sanctum, and Hyptis pectinate. This updated review is to highlight the chemopreventive and chemotherapeutic effects of RA and its derivatives, thus providing valuable clues for the potential development of some complementary drugs in the treatment of cancers. Relevant information about RA's chemopreventive and chemotherapeutic effects and its derivatives were collected from electronic scientific databases, such as PubMed/Medline, Scopus, TRIP database, Web of Science, and Science Direct. The results of the studies showed numerous significant biological effects such as antiviral, antibacterial, anti-inflammatory, anti-tumour, antioxidant and antiangiogenic effects. Most of the studies on the anticancer potential with the corresponding mechanisms are still in the experimental preclinical stage and are missing evidence from clinical trials to support the research. To open new anticancer therapeutic perspectives of RA and its derivatives, future clinical studies must elucidate the molecular mechanisms and targets of action in more detail, the human toxic potential and adverse effects.

Substituent Effect on Ligand-Centered Electrocatalytic Hydrogen Evolution of Phosphorus Corroles.

There have been few reports on the substituent effect of main-group-element corrole complexes as ligand-centered homogeneous electrocatalysts for the hydrogen evolution reaction (HER). The key to comprehend the catalytic mechanism and develop efficient catalysts is the elucidation of the effects of electronic structure on the performance of energy-related small molecules. In this work, the "push-pull" electronic effect of the substituents on electrocatalytic HER of phosphorus corroles was investigated by using 5,10,15-tris(phenyl) corrole phosphorus (1P), 10-pentafluorophenyl-5,15-bis(phenyl) corrole phosphorus (2P), 10-phenyl-5,15-bis(pentafluorophenyl) corrole phosphorus (3P), 5,10,15-tris(pentafluorophenyl) corrole phosphorus (4P) complexes bearing hydroxyl axial ligands and different numbers of fluorine atoms on the meso-aryl substituents. The results revealed that the catalytic HER activity of phosphorus corroles decreased with the increasing of fluorine atom numbers, it follows in the order 1P>2P>3P>4P. Density functional theory (DFT) calculations show that the corrole 1P has the lowest free energy barrier in catalytic HER.

A foundational theoreticalAl12E12(E = N, P) adsorption and quinolone docking study: cage-quinolone pairs, optics and possible therapeutic and diagnostic applications.

This combined Al12E12 (E = N, P) surface adsorption and docking study describes the new possibility of prospective potential probing(photophysical/optical) and therapy(medicinal/biochemical) with these adsorbent conjugates. DFT investigations were undertaken herein to help generate geometrical models and better understand the possible favorable adsorption energetics. We attempt to explain their adsorption behaviors and docking involving SARS-CoV-2 viruses (PDB)to assess their possible pharmaceutical potential against the pandemic virus (COVID-19). The adsorption behavior of 8-hydroxy-2-methylquinoline (MQ) and its halogenated derivatives, 5,7-diiodo-8-hydroxy-2-methylquinoline (MQI), 5,7-dichloro-8-hydroxy-2-methylquinoline (MQCl), and 5,7-dibromo-8-hydroxy-2-methylquinoline (MQBr), with aluminum-nitrogen (AlN), and aluminum-phosphorous (AlP) fullerene-like nanocages is reported. A decrease in the hardness of the nanoclusters when adsorbed with drug molecules resulted in an incrementally improved chemical softness (see e.g., Hard-Soft Acid Base theory) indicating that reactivity of the drug molecule in the resulting complex increases upon cluster chemical adsorption. The energy gap is found to be maximized for AlN-MQ and minimized for AlP-MQI; the reduced density gradient (RDG) iso-surfaces and AIM studies also corroborated this. Therefore, these two were found, respectively, to be the least and most electrically conductive of the species under study. We selected a simple medicinal building block (chelator)in addition to selecting the cluster based on previous literature reports. Important parameters such as gap energies and global indices were determined. We assessed NLO properties. The SARS-CoV-2 virus PDB docking data for 6VW1, 6VYO, 6WKQ, 7AD1, 7AOL, 7B3C, were enlisted as ligand targets for studies of docking (PatchDock Server) using the requisite PDB geometries (For the structure of 6VW1, kindly see reference, 2020; For the structure of 6VYO kindly see reference, 2020; For the structure of 6WKQ kindly see reference, 2020; For the structure of 7AD1 kindly see reference, 2021; For the structure of 7AOL kindly see reference, 2021; For the structure of 7B3C kindly see reference, 2021). Such findings indicate that the AlN-drug conjugation have inhibitory effect against these selected receptors.Communicated by Ramaswamy H. Sarma.

Improving diagnosis of tuberculous lymphadenitis by combination of cytomorphology and MPT64 immunostaining on cell blocks from the fine needle aspirates.

BACKGROUND: Extra pulmonary tuberculosis (EPTB) constitutes 18% of all tuberculosis (TB) cases and tuberculous lymphadenitis (TBL) constitutes 20-40% of EPTB. Diagnosis of TBL is challenging because of the paucibacillary nature of the disease. OBJECTIVE: To investigate the diagnostic potential of a new antigen detection test based on the detection of M. tuberculosis complex specific antigen MPT64 from fine needle aspirate (FNA) cytology smears and biopsies obtained from patients with clinically suspected TBL using immunohistochemistry (IHC). MATERIALS AND METHODS: This study was conducted at Khyber Teaching Hospital and Rehman Medical Institute, Peshawar, Pakistan, from January 2018 to April 2019. Samples, including FNA (n = 100) and biopsies (n = 8), were collected from 100 patients with presumptive TBL. Direct smears and cell blocks were prepared from the FNA samples. All samples were subjected to hematoxylin-eosin (H&E) staining, Ziehl-Neelsen (ZN) staining, and immunostaining with polyclonal anti-MPT64 antibody. The culture was performed only for biopsy specimens. All patients were followed until the completion of anti-TB treatment. The response to treatment was included in the composite reference standard (CRS) and used as the gold standard to validate the diagnostic tests. RESULTS: The sensitivity, specificity, positive and negative predictive values for ZN staining were 4.4%,100%,100%,56%, for culture were 66%,100%,100%,50%, for cytomorphology were 100%,90.91%,90%,100%, and for immunostaining with anti-MPT64 were all 100%,respectively. The morphology and performance of immunohistochemistry were better with cell blocks than with smears. CONCLUSION: MPT64 antigen detection test performed better than ZN and cytomorphology in diagnosing TBL. This test applied to cell blocks from FNA is robust, simple, and relatively rapid, and improves the diagnosis of TBL.

Adsorption properties of dacarbazine with graphene/fullerene/metal nanocages - Reactivity, spectroscopic and SERS analysis.

Drug delivery devices are an effective way to minimize anticancer drug toxicity and nanostructures are used in the targeted drug delivery. In the present work, adsorption and interaction behavior of 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide (DAIC) with nano complexes (graphene, fullerene and fullerene like metal cages) are reported theoretically. From the reactivity studies, the electrophilicity index of DAIC-nanoclusters are increasing and this gives the bioactivity of the nanocluster systems. Adsorption energy is highest in the case of AlP and lowest in the case of BP clusters. Mulliken charge distribution of all systems is an evidence for chemical enhancement. DAIC adsorption over nanocages causes changes in electronic properties resulting in chemical enhancement and variation in Raman spectra which suggests that nanocages could be a good candidate for DAIC detection.

Theoretical model study of adsorbed antimalarial-graphene dimers: doping effects, photophysical parameters, intermolecular interactions, edge adsorption, and SERS.

Future diagnostics and therapy applications are in part riding on the discovery and implementation of new optical techniques and strategies (which often derive from dyads) for example, prediction of features in surface-enhanced Raman spectroscopy requires the study of chromophore-chromophore interactions involve intermolecular forces, drug delivery, and photo mechanisms which are of great interest. New matches between chromophore systems (i.e. FRET), and π-delocalized surfaces are important to study. We explore low-molecular weight drug molecules and their interaction with the reporter material/surface of graphene. Bonding, charge transfer and orbital interactions for 2-amino-5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole (megazol or AMIT) on graphene were carried out. The graphene model substrate was monotonically/monatomically substituted (doped) with one neutral heteroatom (N/O/S/B) in place of one carbon center; chemical adsorption of AMIT is due to charge transfer from doped graphene to AMIT (DFT). Our AMIT-nanocluster studies show that the nanoclusters will act as a sensor component for the detection of drugs due to SERS. Our findings identified that the greater the energy of the charge transfer, the stronger the calculated chemical adsorption. Additionally, charge transfer is highest for the N-doped systems and least for pristine graphene, resulting in a stronger adsorption energy for N-doped graphene. Mulliken charge analysis of structures confirms enhancement found in QD-AMIT systems.Communicated by Ramaswamy H. Sarma.

Mathematical modeling and thermodynamics of Prandtl-Eyring fluid with radiation effect: a numerical approach.

Main concern of current research is to develop a novel mathematical model for stagnation-point flow of magnetohydrodynamic (MHD) Prandtl-Eyring fluid over a stretchable cylinder. The thermal radiation and convective boundary condition are also incorporated. The modeled partial differential equations (PDEs) with associative boundary conditions are deduced into coupled non-linear ordinary differential equations (ODEs) by utilizing proper similarity transformations. The deduced dimensionless set of ODEs are solved numerically via shooting method. Behavior of controlling parameters on the fluid velocity, temperature fields as well as skin friction and Nusselt number are highlighted through graphs. Outcome declared that dimensionless fluid temperature boosts up for both the radiation parameter and Biot number. It is also revealed that the magnitude of both heat transfer rate and skin friction enhance for higher estimation of curvature parameter. Furthermore, comparative analysis between present and previous reports are provided for some specific cases to verify the obtained results.

A Novel Technique for Thyroplasty Type 1, With Prolene Mesh Implant.

OBJECTIVE: To analyze the efficacy of a modified approach to thyroplasty type one using prolene mesh implant. STUDY DESIGN: Interventional study. PLACE AND DURATION OF STUDY: Combined Military Hospital Kharian, Pakistan, in Ent department, from July 2020 to Jan 2021. METHODOLOGY: Medialization thyroplasty with prolene mesh was performed on the patients satisfying the inclusion criteria. They were analyzed objectively as well as subjectively in terms of Mean Maximum phonation time, maximum word count, and visual analog score about the quality of voice. Data analysis was done with SPSS version 20. Pre-operative and post-operative records were compared using paired sample t-test. RESULTS: A total of 39 patients underwent vocal cord medialization with prolene mesh implant. The Mean age for medialization was 41.09 + 13.37. 23 patients were females and 15 were males. 26 patients had unilateral and 13 patients had bilateral vocal dysfunction. 18 of them had vocal dysfunction due to thyroidectomy, eight had idiopathic causes and 13 had miscellaneous. The improvement in mean visual analog score was 2.87 postoperatively. Median maximum phonation time increased about five seconds postoperatively, seven seconds in males, and 4.5 seconds for females. The maximum word count increased from 11.33 preoperatively to 18.28 postoperatively. There were no major complications observed in our study. CONCLUSION: These results were comparable to many other studies for vocal cord medialization with different implant materials. But prolene mesh implant offers an easily available yet cost-effective alternative with similar benefits. LEVEL OF EVIDENCE: III (Treatment benefits: Non-randomized controlled cohort/follow-up study).

LBL generated fire retardant nanocomposites on cotton fabric using cationized starch-clay-nanoparticles matrix.

In this work, starch-clay-TiO2-based nanocomposites were deposited on cotton fabric through layer-by-layer (LBL) process and their effect on the flame retardancy, inhibition of pyrolysis and combustion processes were discussed in details. Polyelectrolyte solutions/suspensions of cationized starch and VMT (vermiculite)/TiO2 nanoparticles were used to deposit these nanocomposites in the form of multi-layered coatings (5, 7, 10 and 15 bilayers). Uniform fabric coverage and presence of electrolytes was imaged by scanning electron microcopy (LV-SEM), attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) and EDX characterizations. The greatest pyrolysis reduction was found for the StVT-7 sample (7 bilayers); ~30% and 21%, based on microscale combustion calorimetry (MCC) and thermogravimetric analysis (TGA). When using MCC, the improved values of the PHRR ~ 193 W/g, THR ~ 10.7 kJ/g), HRC ~ 390 J/g∙K and LOI ~ 22.2% were found for the StVT-7 sample which was strongly supported by the UL-94 test.

Plausible Pnicogen Bonding of epi-Cinchonidine as a Chiral Scaffold in Catalysis.

As a non-covalent interaction of a chiral scaffold in catalysis, pnicogen bonding of epi-cinchonidine (epi-CD), a cinchona alkaloid, was simulated to consider whether the interaction can have the potential controlling enantiotopic face like hydrogen bonding. Among five reactive functional groups in epi-CD, two stable complexes of the hydroxyl group (X-epi-CD1) at C17 and of the quinoline ring (X-epi-CD2) at N16 with pnictide family analytes [X = substituted phosphine (PX), i.e., F, Br, Cl, CF3, CN, HO, NO2, and CH3, and pnictide family analytes, i.e., PBr3, BiI3, SbI3, and AsI3] were predicted with intermolecular interaction energies, charge transfer (QMulliken and QNBO), and band gap energies of HOMO-LUMO (Eg) at the B3LYP/6-31G(d,p) level of density functional theory. It was found that the dominant site of pnicogen bonding in epi-CD is the quinoline ring (N16 atom) rather than the hydroxyl group (O36 atom). In addition, the UV-Vis spectra of the complex were calculated by time-dependent density functional theory (TD-DFT) at the B3LYP/6-31+G(d,p) level and compared with experimental measurements. Through these calculations, two intermolecular interactions (H-bond vs. pnicogen bond) of epi-CD were compared.

Bisphenol-based cyanide sensing: Selectivity, reversibility, facile synthesis, bilateral "OFF-ON" fluorescence, C2ν structural and conformational analysis.

A structurally characterized novel dual-pocketed tetra-conjugated bisphenol-based chromophore (fluorescence = 652 nm) was synthesized in gram scale in ~90% yield from its tetraaldehyde. Highly selective, naked-eye detection of CN- (DMSO/H2O) was confirmed by interferent testing. A detection limit of 0.38 µM, within the permissible limit of CN- concentration in drinking water was achieved as mandated by WHO. The "reversibility" study shows potential applicability and reusability of Sen. Moreover, cost-effective and on-site interfaces, application tools such as fabricated cotton swabs, plastic Petri dishes, and filter papers further demonstrated the specific selectivity of Sen for the toxic CN-. In addition, an easily available and handy smartphone-assisted "Color Picker" app was utilized to help estimate the concentration of CN- ion present. A dual phenol deprotonation mechanism is active and supported by 1H NMR spectroscopic data and DFT calculation results.

Asynchronous Double Schiff Base Formation of Pyrazole Porous Polymers for Selective Pd Recovery.

Pyrazole-linked covalent organic polymer is synthesized using an asynchronous double Schiff base from readily available monomers. The one-pot reaction features no metals as a building block or reagent, hence facilitating the structural purity and industrial scalability of the design. Through a single-crystal study on a model compound, the double Schiff base formation is found to follow syn addition, a kinetically favored product, suggesting that reactivity of the amine and carbonyls dictate the order and geometry of the framework building. The highly porous pyrazole polymer COP-214 is chemically resistant in reactive conditions for over two weeks and thermally stable up to 425 °C in air. COP-214 shows well-pronounced gas capture and selectivities, and a high CO2/N2 selectivity of 102. The strongly coordinating pyrazole sites show rapid uptake and quantitative selectivity of Pd (II) over several coordinating metals (especially Pt (II)) at all pH points that are tested, a remarkably rare feature that is best explained by detailed analysis as the size-selective strong coordination of Pd onto pyrazoles. Density functional theory (DFT) calculations show energetically favorable Pd binding between the metal and N-sites of COP-214. The polymer is reusable multiple times without loss of activity, providing great incentives for an industrial prospect.