Manipulating sensitivities of planar oxadiazole-based high performing energetic materials

Nitrogen-rich energetic materials based on five-membered azoles, such as tetrazoles, triazoles, oxadiazoles, pyrazoles, and imidazoles, have garnered significant attention in recent years due to their environmental compatibility while maintaining high performance. These materials, including explosives, propellants, and pyrotechnics, are designed to release energy rapidly and efficiently while minimizing the release of toxic or hazardous byproducts and have attracted potential applications in the defense and space industries. The presence of extensive N C, N N, and NN high energy bonds in azoles provides high enthalpies of formation and facilitates intermolecular interactions through π-stacking which may help with reducing sensitivity to external stimuli. Now, we report on the synthesis and energetic properties of N-(5-(1H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl)nitramide ( 5 ) and its energetic salts. These new high nitrogen–oxygen-containing materials have attractive feature applications of insensitivity and increased performance.     

Interactions of some peptides with sodium acetate and magnesium acetate in aqueous solutions at 298.15 K: A volumetric approach

The apparent molar volumes, V of diglycine, triglycine and glycyl-l-leucine have been determined in water and in aqueous sodium acetate (0.5, 1.0, 2.0, and 4.0 m_B) and magnesium acetate (0.5, 1.0, 1.5, and 2.0 m_B) solutions at 298.15 K by the measurement of densities using vibrating-tube digital densimeter. The partial molar volumes, V_2,m⁰ obtained from V have been used to calculate the partial molar volumes of transfer, Δ_trV_2,m⁰ for these peptides from water to aqueous solutions of sodium acetate (SA) and magnesium acetate (MA) solutions. The hydration numbers, n_H and volumetric interaction coefficients have also been calculated. The Δ_trV_2,m⁰ data suggest that ion-charged/or peptide group interactions of peptides are stronger with MA in comparison to SA.     

High-performance liquid chromatography and LC-ESI-MS method for the identification and quantification of two biologically active isomeric coumarinolignoids cleomiscosin A and cleomiscosin B in different extracts of Cleome viscosa

A rapid, sensitive and simple reverse-phase high-performance liquid chromatographic-electrospray ionization-mass spectrometry method for simultaneous determination of cleomiscosin A and cleomiscosin B has been developed and validated. The isomeric coumarinolignoids cleomiscosin A (1) and cleomiscosin B (2) were separated on a Waters symmetry C(18) column with a solvent system composed of acetonitrile-methanol (1:2) and acetic acid-water (0.5:99.5) in a gradient elution mode. The absorption at 326 nm was chosen as the measuring wavelength in which resolution and baseline separation of compounds 1 and 2 could be obtained. The identity of the two isomeric compounds 1 and 2 in the samples were determined on a triple quadrupole mass spectrometer with ESI interface operating in the positive mode. Calibration curves were linear (r(2) > 0.993) over the concentration range 20-200 microg/mL for cleomiscosin A and 10-200 microg/mL for cleomiscosin B with acceptable accuracy and precision, respectively. The intra-day and inter-day precision were 1.13 and 0.82% for cleomiscosin A and 1.78 and 1.28% for cleomiscosin B, respectively. The validated method was successfully applied for the analysis of the above two compounds in different extracts of Cleome viscosa.     

Synthesis,characterization and single crystal x-ray analysis of a complex of iron(II) bis(2,4-dimethylphenyl)dithiophosphate with 4-ethylpyridine

Complex of iron(II) bis(2,4-dimethylphenyl)dithiophosphate with 4-ethylpyridine [{(2,4- (CH₃)₂C₆H₃O)2PS2}2Fe{NC₅H₄(C₂H₅)-4}₂] is synthesized and characterized by elemental analysis, magnetic moment, IR spectroscopy and single crystal X-ray analysis. Complex crystallizes in the monoclinic sp. gr. P2₁/n, Z = 2. Crystal structure consists of mononuclear units with Fe(II) ion chelated by four S atoms of the two diphenyldithiophosphate ligands in bidentate manner. N atoms from two 4-ethylpyridine ligands are axially coordinated to the Fe(II) atom leading to an octahedral geometry.     

Estimation of cut-off wavelength of rare earth doped single-mode fibers

A new empirical relation is proposed describing spectral variation of mode-field radius (MFR) as inferred from measurements in the far-field of the fiber. It is shown that using this relation, it is possible to estimate the cut-off wavelength (λ_c) of the fiber. The proposed technique is successfully tested through measurements made on two standard step index single-mode fibers, as well as on an erbium doped fiber (EDF) having λ_c falling within its strong absorption band around 980 nm. This empirical formula is more accurate than the widely used Marcuse's formula to describe spectral dependence of MFR determined through measurements made in the fiber's far-field. The proposed technique is especially suited for estimation of λ_c of doped fibers in which λ_c falls within an absorption band.     

Solvolytic behaviour and the solubilities of various inorganic compounds, lewis acids and bases in fused monobromo acetic acid solvent system—II

Solubilities and the solvolytic behaviour of various inorganic compounds, Lewis acids and bases in fused monobromoacetic acid at 60 ± 0.5°C are discussed. Ionic compounds are fairly soluble, iodides and thiocyanates being comparatively more soluble than chlorides and bromides. Tetraalkyl ammonium halides are highly soluble in this solvent. Conductometric and spectroscopic studies of various Lewis acids and bases in fused monobromoacetic acid indicate their solvolytic behaviour and their subsequent ionization. The solvolyses products BBr₃·CH₂BrCOOH and SbCl₅·CH₂BrCOOH have been observed to be the strongest Bronsted acids. Auto-ionization of this solvent has been supported by acid/base titrations.     

A novel technique for active vibration control,based on optimal tracking control

Determination of concentration of major elements such as Ca, Si, Al, and Fe in cement is very important for quality control during its production, correct classification according to the existing standards, and thus for appropriate use in the construction industry. For this purpose, neutron activation analysis is very suitable. In this preliminary theoretical work, the irradiation and consecutive measurement of the percentage of the constituent elements in different cement samples were done using MCNPX with γ-ray spectra as the output. Specific peaks of Ca, Si, Al, and Fe obtained from these spectra were used as input for artificial neural network (18 of them for training and 8 for testing) resulting in the determination of each element in the given sample. The mean absolute errors of the results are less than 0.4%, which is very promising for the future experimental work where the uncertainties are usually one order higher.     

Algorithms for automatic interpretation of high resolution mass spectra

Automated interpretation of high-resolution mass spectra in a reliable and efficient manner represents a highly challenging computational problem. This work aims at developing methods for reducing a high-resolution mass spectrum into its monoisotopic peak list, and automatically assigning observed masses to known fragment ion masses if the protein sequence is available. The methods are compiled into a suite of data reduction algorithms which is called MasSPIKE (Mass Spectrum Interpretation and Kernel Extraction). MasSPIKE includes modules for modeling noise across the spectrum, isotopic cluster identification, charge state determination, separation of overlapping isotopic distributions, picking isotopic peaks, aligning experimental and theoretical isotopic distributions for estimating a monoisotopic peak's location, generating the monoisotopic mass list, and assigning the observed monoisotopic masses to possible protein fragments. The method is tested against a complex top-down spectrum of bovine carbonic anhydrase. Results of each of the individual modules are compared with previously published work.     

A review on solid phase microextraction-high performance liquid chromatography as a novel tool for the analysis of toxic metal ions

This paper reviews the practical applications of solid phase microextraction-High performance liquid chromatography in the analysis of toxic metal species as these are important contaminants and are carcinogenic. Their determination in formulations, in feed and food, and in complex environmental matrices (e.g., waste water and industrial effluents) often requires analytical methods capable of high efficiency, unique selectivity, and high sensitivity. Solid phase microextraction (SPME) requires low solvent consumption and is quick in use. SPME is used for extraction and online desorption of analytes with the mobile phase of HPLC and subsequent detection by UV, ICP-MS or ESI-MS as detectors. Different SPME-HPLC methods are summarized in this article to demonstrate the usefulness of this technique for metallic species of As, Cr, Pb, Hg and Se.     

Synthesis of novel bis‐condensed heterocyclic ring assembly systems

The novel bis‐condensed heterocyclic systems with ring assemblies based on peripheral barbituric acid rings and central pyran, pyridine and thiine rings have been generated by the reaction of terephthalaldehyde and isophthalaldehyde with barbituric acid for comparison with the analogous systems generated with said dialdehydes and 1,3‐cyclohexanedione.