We propose a new approach to extending the notion of commutator and Lie algebra to algebras with ternary multiplication laws. Our approach is based on ternary associativity of the first and second kind. We propose a ternary commutator, which is a linear combination of six (all permutations of three elements) triple products. The coefficients of this linear combination are the cube roots of unity. We find an identity for the ternary commutator that holds due to ternary associativity of the first or second kind. The form of the found identity is determined by the permutations of the general affine group GA(1,5)⊂S5. We consider the found identity as an analogue of the Jacobi identity in the ternary case. We introduce the concept of a ternary Lie algebra at the cubic root of unity and give examples of such an algebra constructed using ternary multiplications of rectangular and three-dimensional matrices. We point out the connection between the structure constants of a ternary Lie algebra with three generators and an irreducible representation of the rotation group.

The present work presents and discusses experimental performance and gaseous emission results of the use of ternary mixtures of diesel oil, biodiesel and ethanol in an ASTM-CFR engine. Eight different mixtures with biodiesel content equal to 8%, 20% and 60%, and ethanol content equal to 0%, 5% and 8% were analyzed. After the selection and preparation of the mixtures, the determination of the cetane number for each one was performed following the ASTM D613 standard. After cetane number evaluation, two off-standard operating conditions were selected, and performance and emissions were obtained. A thermodynamic analysis and a Bayesian inverse approach were applied and physical quantities of interest, such as indicated work, maximum pressure, rate of heat released by the fuel, ignition delay, and combustion duration, were obtained. In-cylinder pressure data were obtained through an AVL Indicating system installed in the ASTM-CFR engine. The heating values of each mixture were determined using a bomb calorimeter and thermal and indicated efficiencies were evaluated based on the total heat released by the fuel and the indicated work. Finally, a gaseous emissions analysis was conducted to evaluate the influence of the blend compositions, as well as of their cetane numbers, on the formation of NOx, CO and CO₂.

The metal chelator PBT2 (5,7-dichloro-2-[(dimethylamino)methyl]-8-hydroxyquinoline) acts as a terdentate ligand capable of forming binary and ternary Cu2+ complexes. It was clinically trialed as an Alzheimer’s disease (AD) therapeutic but failed to progress beyond phase II. The β-amyloid (Aβ) peptide associated with AD was recently concluded to form a unique Cu(Aβ) complex that is inaccessible to PBT2. Herein, it is shown that the species ascribed to this binary Cu(Aβ) complex in fact corresponds to ternary Cu(PBT2)NIm[Aβ] complexes formed by anchoring of Cu(PBT2) on imine nitrogen (NIm) donors of His side chains. The primary site of ternary complex formation is His6, having a conditional stepwise formation constant at pH 7.4 (K [M−1] ) of log K = 6.4 ± 0.1, and a second site is supplied by His13 or His14 (log K = 4.4 ± 0.1). The stability of Cu(PBT2)NIm[H13/14] is comparable with that of the simplest ternary complexes involving free imidazole (log K = 4.22 ± 0.09) and histamine (log K = 4.00 ± 0.05). The 100-fold larger formation constant for Cu(PBT2)NIm[H6] indicates that outer-sphere ligand–peptide interactions strongly stabilize its structure. Despite the relatively high stability of Cu(PBT2)NImH6, PBT2 is a promiscuous Cu2+-binding ligand capable of forming a ternary Cu(PBT2)NIm complex with any ligand containing NIm donor. These ligands include histamine, L-His, and ubiquitous His side chains of peptides and proteins in the extracellular milieu, whose combined effect should outweigh that of a single Cu(PBT2)NIm[H6] complex regardless of its stability. We therefore conclude that PBT2 is capable of accessing Cu(Aβ) complexes with high stability but not specificity. The results have implications for future AD therapeutic strategies and understanding the role of PBT2 in the bulk transport of transition metal ions. Given the repurposing of PBT2 as a drug for breaking antibiotic resistance, ternary Cu(PBT2)NIm and analogous Zn(PBT2)NIm complexes may be relevant to its antimicrobial properties.

The novel ternary composites, BiOBr-TiO2-attapulgite (BTA), were synthesized using a simple hydrothermal and water-bath method, exhibiting excellent photocatalytic performance to mul-tiple xanthates. For BTA photocatalyst, TiO2 and BiOBr were uniformly loaded on the surface of acid-activated attapulgite. As a widely used collector in mining processes, sodium ethyl-xanthate (SEX) was selected as the target pollutant due to its high toxicity. The BTA ternary photocatalyst demonstrated significantly higher adsorption and photocatalytic degradation performance compared to TiO2 nanoparticles, BiOBr nanosheets, and BiOBr-TiO2 heterojunction. Structural characterization and experimental results indicated that the exceptional photocatalytic degrada-tion efficiency of BTA was mainly attributed to the formation of heterojunction between BiOBr and TiO2, as well as the presence of additional active adsorption sites provided by attapulgite. Free radical scavenging experiments and EPR results confirmed that the photogenerated holes were the predominant active species to photodegrade SEX throughout the entire experiment. The LC-MS results provided insight into potential degradation pathways of SEX. This research demonstrates that BTA, as a novel triple composite material, achieves rapid and complete degradation to 20 mg/L SEX within 20 min. This work presents a novel approach to synthesize mineral-based photo-catalysts, which have broad prospects for application in flotation wastewater treatment.

In the past decade, considerable efforts have been devoted to the development of semitransparent organic solar cells. Numerous materials and architectures have been proposed for the future commercialization of these devices. Among these, the use of ternary active layers demonstrated a great promise for the development of efficient semi-transparent organic solar cells with the potential for future applications including self-powered greenhouses and powered windows. Researchers seek alternative solutions to the trade-off between device power conversion efficiency (PCE) and average visible transmittance (AVT), with photoactive materials being the key parameters that govern both (PCE) and (AVT) as well as device stability. Several new organic materials, including polymers and small molecules, were synthesized, and used in conjunction with a variety of techniques to achieve semitransparent conditions. In this review paper, we will look at the working principle and key parameters of semi-transparent organic solar cells, as well as the methods that have been used to improve the performance of ternary-based semi-transparent organic solar cells. The main approaches were concluded to be spectral enhancement and transparency increment of the active layer through bandgap tuning, utilizing novel organic semiconductors, and design architecture of the active layers.

The Landauer principle asserts that “the information is physical”. In its strict meaning Landauer's principle states that there is a minimum possible amount of energy required to erase one bit of information, known as the Landauer bound W=kBTln2 where T is the temperature of a thermal reservoir used in the process and kB is Boltzmann’s constant. Modern computers use the binary system in which a number expressed in the base-2 numeral system. We demonstrate that the Landauer principle remains valid for the physical computing device based on the ternary and more generally N-based logic. The energy necessary for erasure of one bit of information (the Landauer bound) W=kBTln2 remains untouched for the computing devices exploiting a many-valued logic.

The aim of this work is to analyze and investigate the shape preserving properties of ternary 4-point non-stationary interpolating subdivision schemes constructed by Beccari et al. [1] with a tension parameter !k+1 which can reproducing exponential. Moreover, the conditions on the initial control points are developed that allow user to generate shape preserving limit curves after a nite number of subdivision steps and generalize these results in limiting case. Signicance of derived conditions are illustrated through graphs and the whole discussion is followed by examples.

Rice husk ash (RHA) is agricultural waste with high silica content that has had proven technical feasibility as a pozzolanic material since the 1970s. Notwithstanding, its use in mortars and concrete is limited by the standards currently utilized in some countries where RHA production is high and the aforementioned pozzolanic material is not standardized. This is the case of Spain, one of the main rice producers in Europe. Nowadays, the high pressure placed on the Portland cement production sector to reduce energy use and CO2 emissions has given rise to a keen interest shown in mineral admixtures for cement manufacturing. In this research, we intend to establish the contribution of different RHA types to final blended Portland cement properties (symbol “H” was used to identify RHA in standardized cements). The experimental results demonstrated that RHA with good pozzolanic properties (large specific surface and high amorphous silica content) had to be limited to 10% cement replacement because of the severe reduction in workability at higher replacement percentages. RHA with lower reactivity, such as crystalline RHA, or fly ash (FA), can be used to prepare binary and ternary blended cements with reactive RHA. It is possible to design the following cements: CEM II/A-H and CEM II/A-(H-V) It would also be possible to design cement (CEM II/B-(H-V) with replacement values up to 30% and the same 28-day mechanical performance observed for the Portland cement without mineral addition.

Inorganic chemistry has contributed to the progress of human civilization in several different ways. Its activities at the interface with other scientific disciplines has led to emergence of several new fields like organometallic chemistry, bio-inorganic chemistry, solid-state chemistry, environmental chemistry, etc. In the past few decades, it has made inroads in yet another dimension of immense relevance, i.e. nano-science and –technology. In this assay an attempt has been made to present an overview of utility of inorganic and organometallic compounds as precursors for the synthesis of nano-materials with reference to catalysis and materials science. Applications of metal nanoparticles (NPs) and metal chalcogenide NPs, generated through molecular precursor route, in catalysis have been discussed. Synthesis of ternary and quaternary metal chalcogenide nano-materials by molecular precursor route has been reviewed.

In the article, we define a sequence F: F(0) = 2, F(1) = 10, F(2) = 16, F(3) = 22, F(4) = 26, F(4) = 28, · · · , F(i) = F(i − 1) + l, where the number l ≤ 8 is defined by using prime numbers and matrix algebra. The sequence includes only even numbers and can be used to define a series of numbers F(i) + 1, the non-Goldbach sequence, that contains all numbers that cannot be written as the sum of two primes. The result is related to Goldbach’s conjecture. The famous Goldbach conjecture states that every even integer greater than 2 can be expressed as the sum of two primes.

The true ternary fission, the fission of a nucleus into three fragments of nearly equal mass, is an elusive and poorly known process influenced by shell effects. It has been envisaged an increase of the probability of this process with respect to the binary fission, very low in spontaneous and neutron-induced fission, by adopting heavy-ion induced reactions due to the possibility to increase the fissility parameter and the excitation energy of the compound nuclei. Nuclei with mass number around A=250, accessible in heavy-ion induced reactions, are favorable and should be investigated. It is still debated if the process takes place in a single step, direct ternary fission, or in two steps, sequential ternary fission. The purpose of this work is to define experimental conditions and observables that allow the disentangling of the products from the direct and sequential ternary fission as well as from the usual most probable binary fission. This step is essential to gain insight on the ternary fission dynamics and on the binary to ternary fission competition. The method proposed here is to simulate the kinematics of the ternary and binary fission processes to compute the energy distributions and angular correlations of direct and sequential ternary fission products, as well as those of binary fission. The reaction taken as benchmark is 40Ar+208Pb at 230 MeV supposed to form the 248Fm* compound nucleus. The simulation results have been filtered by considering the response function of a multi-coincidence detection system virtually constructed using the Geant4 simulation toolkit. The simulations support the possibility to separate the products of different multimodal fission decays with the proposed setup that consequently represents an effective tool to get insight on ternary fission from the observables selected.

A novel nano-laminated GdB2C2 material was successfully synthesized using GdH2, B4C, and C via an in-situ solid state reaction approach for the first time. The formation mechanism of GdB2C2 was revealed based on the microstructure and phase evolution investigation. A purity of 96.4 wt. % GdB2C2 was obtained at a low temperature of 1500 ℃, while a near full pure GdB2C2 can be obtained at a temperature over 1700 ℃. The as-obtained GdB2C2 presented excellent thermal stability at high temperature of 2100 ℃ in Ar atmosphere due to the stable frame work formed by the high covalent four-members and eight-members B-C rings in GdB2C2. The minimum reflection loss value (RLmin) of -47.01 dB with an effective absorption bandwidth (EAB) of 1.76 GHz at a thickness of 3.44 mm was obtained for the GdB2C2 synthesized at 1500 ℃. The possible EMWA mechanism could be ascribed to the nano-laminated structure and appropriate electrical conductivity, which facilitated to the good impedance matching, remarkable conduction loss, interfacial polarization as well as multiple interface reflection and scattering. The as-obtained GdB2C2, with excellent EMWA performance as well as remarkable ultra-high temperature thermal stability, could be a promising candidate for the EMWA materials applications in extreme ultra-high temperatures.

Control over the composition of III-V ternary nanowires grown by the vapor-liquid-solid (VLS) method is essential for bandgap engineering in such nanomaterials and fabrication of functional nanowire heterostructures for a variety of applications. From the fundamental viewpoint, III-V ternary nanowires based on group V intermix (InSbxAs1-x, InPxAs1-x, GaPxAs1-x and many others) present the most difficult case, because the concentrations of highly volatile group V atoms in a catalyst droplet are beyond the detection limit of any characterization technique and therefore principally unknown. Here, we present a model for the vapor-solid distribution of such nanowires, which fully circumvents the uncertainties that remained in the theory so far, and link the nanowire composition to the well-controlled parameters of vapor. The unknown concentrations of group V atoms in the droplet do not enter the distribution, despite of the fact that a growing solid is surrounded by the liquid phase. The model fits quite well the available data on the vapor-solid distributions of VLS InSbxAs1-x, InPxAs1-x and GaPxAs1-x nanowires grown with different catalyst. Even more importantly, it provides a basis for the compositional control of III-V ternary nanowires based on group V intermix, and can be extended over other material systems where two highly volatile elements enter a ternary solid alloy through a liquid phase.

Although Sn has been intensively studied as one of the most promising anode materials to replace commercialized graphite, its cycling performance and rate performance are still unsatisfactory owing to insufficient control of its large volume change during cycling and poor electrochemical kinetics. Herein, we propose a Sn-TiO2-C ternary composite as a promising anode material to overcome these limitations. The hybrid TiO2-C matrix synthesized via two-step high-energy ball milling effectively regulated the irreversible lithiation/delithiation of the active Sn electrode and facilitated Li-ion diffusion. At the appropriate C concentration, Sn-TiO2-C exhibited significantly enhanced cycling performance and rate capability compared to its counterparts (Sn-TiO2 and Sn-C). Sn-TiO2-C delivers good reversible specific capacities (669 mAh g-1 after 100 cycles at 200 mA g-1 and 651 mAh g-1 after 500 cycles at 500 mA g-1) and rate performance (446 mAh g-1 at 3000 mA g-1). The superiority of Sn-TiO2-C over Sn-TiO2 and Sn-C was corroborated by electrochemical impedance spectroscopy, which revealed faster Li-ion diffusion kinetics in the presence of the hybrid TiO2-C matrix than in the presence of TiO2 or C alone. Therefore, Sn-TiO2-C is a potential anode for next-generation Li-ion batteries.

A new kind of quantum gates, higher braiding gates, as matrix solutions of the polyadic braid equations (different from the generalized Yang-Baxter equations) is introduced. Such gates lead to another special multiqubit entanglement which can speed up key distribution and accelerate algorithms. Ternary braiding gates acting on three qubit states are studied in details. We also consider exotic noninvertible gates which can be related with qubit loss, and define partial identities (which can be orthogonal), partial unitarity, and partially bounded operators (which can be noninvertible). We define two classes of matrices, star and circle ones, such that the magic matrices (connected with the Cartan decomposition) belong to the star class. The general algebraic structure of the introduced classes is described in terms of semigroups, ternary and $5$-ary groups and modules. The higher braid group and its representation by the higher braid operators are given. Finally, we show, that for each multiqubit state there exist higher braiding gates which are not entangling, and the concrete conditions to be non-entangling are given for the obtained binary and ternary gates.

Organic solar cells are contributing extensively to the production of future large area and cost-effective sources of renewable energy with a compact environmental impact. Moreover, due to tunable optical properties of the active medium, the semi-transparent organic solar cell can be fabricated and become a promising nominee for building Integrated Photovoltaics (BIPV), vehicles, and mobile electronic devices. Therefore, three newly synthesized polymers used as were host materials for the active medium and blended with beetroot dye. Hence, based on BHJ structure two ternary systems have been constructed and utilized to fabricate semitransparent solar cells and characterized. The results show that the natural dye has a crucial impact on solar cell characteristic parameters. Consequently, large value of V_OC close to 1V were obtained for ternary systems and acceptor material named PINDOLE exhibits potentials for electron transport layer (ETL) and shows an improvement in both fill factor and device efficiency.

Two gallium porphyrins, a tetraphenyl GaCl porphyrin, termed as (TPP)GaCl, and an octaethylporphyrin GaCl porphyrin, termed as (OEP)GaCl were synthesized to use as electron cascade in ternary organic bulk heterojunction films. A perfect matching of both gallium porphyrins energy levels with that of poly(3-hexylthiophene-2,5-diyl) (P3HT) or poly[N-9′-heptadecanyl-2,7-carbazole-alt-5,5-(4′,7′-di-2-thienyl-2′,1′,3′-benzothiadiazole)] (PCDTBT) polymer donor and the 6,6-phenyl C71 butyric acid methyl ester (PCBM) fullerene acceptor forming an efficient cascade system that could facilitate electron transfer between donor and acceptor was demonstrated. Therefore, ternary organic solar cells (OSCs) using the two porphyrins in various concentration were fabricated, where a performance enhancement was obtained. In particular, (TPP)GaCl-based ternary OSCs of low concentration (1:0.05 vv%) exhibited a ~17 % increase of the power conversion efficiency (PCE) compared with the binary device due to improved exciton dissociation, electron transport and reduced recombination. On the other hand, ternary OSCs with the (TPP)GaCl of high concentration (1:0.1 vv%) and (OEP)GaCl (1:0.05 and 1:0.1 vv%) showed poorest efficiencies due to very rough nanomorphology and suppressed crystallinity of ternary films when the GaCl porphyrin introduced in the blend, as revealed from X-ray diffraction (XRD) and atomic force microscopy (AFM). The best performed devices exhibited also improved photostability, when exposed to sunlight illumination for a period of 8 h than the binary OSCs, attributed to the suppressed photodegradation of the ternary (TPP)GaCl 1:0.05-based photoactive film.

CO2 emissions resulting from the production of cement is a major issue, but can be limited by the partial substitution of cement by low-carbon-impact additions. The aim of this study was the formulation of a ternary binder based on ordinary Portland cement (OPC), ground granulated blast-furnace slag (GGBS) and flash-calcined sediment (FCS), a dredged waste which was valorized after applying a new heat treatment: flash calcination. The used materials were physically, chemically and mineralogically characterized. The composition of the formulations was optimized using mixture designs. Five formulations, one reference formulation RM (100% OPC), one binary formulation (50% OPC/50% GGBS), and three ternary formulations with a variable FCS rate (10%, 15%, 20%), were selected and characterized fresh and hardened. Results showed that the incorporation of FCS reduced the workability and increased the density. In addition, a decrease in the initial setting time and the heat of hydration peak were observed. In the hardened state, the formulation containing 10% FCS showed 90-day mechanical strengths superior to that of RM. The use of FCS in ternary binders could reduce the environmental impact by reducing greenhouse gas emissions.

In the present study Aprepitant (APT) ternary solid dispersions (SDs) were developed and evaluated for the first time. Specifically, ternary SDs of APT with Poloxamer 188 and Soluplus^® (SOL) were prepared via melt mixing and compared to binary APT/Poloxamer 188 and APT/SOL SDs. Initially, combined thermo-gravimetric and hot-stage polarized light microscopy studies indicated that all tested compounds were thermally stable up to 280 °C, while Poloxamer 188 acted as a plasticizer to SOL by significantly reducing the temperature required to fully solubilize the API during SD preparation. Differential scanning calorimetry combined with wide angle X-ray diffraction studies showed that crystalline API was dispersed in both binary and ternary SDs, while Fourier transformation-infrared spectroscopy studies revealed no molecular interactions among the components. Scanning electron microscopy combined with EDAX element analysis showed that the API was dispersed in nano-scale within the polymer matrices, while increasing APT content led to increasing API nano-crystals within the SDs. Finally, dissolution studies showed that the prepared formulations enhanced dissolution of Aprepitant and its mechanism analysis was further studied. A mathematical model was also investigated to evaluate the drug release mechanism

The efficiency of organic solar cells (OSCs) is influenced by various factors, among which environmental temperature plays a significant role. Previous studies have shown that the thermal stability of these cells can be enhanced by incorporating a third component into their structure. Ternary organic solar cells, in particular, have shown promising results in improving thermal stability. A well-designed electron transport layer (ETL) can significantly bolster thermal stability by facilitating efficient charge transport and reducing charge recombination. In this study, we investigated the effect of temperature on the efficiency of inverted ternary structures, ranging from 300 K to 400 K. The structures examined include FTO/SnO2/PM6:D18:L8-BO/PEDOT: PSS/Ag, FTO/Spiro-OMeTAD/PM6:D18:L8-BO/PEDOT: PSS/Ag, and FTO/PC60BM/PM6:D18:L8-BO/PEDOT: PSS/Ag. Through simulations employing three different electron transport layers—SnO2, Spiro-OMeTAD, and PC60BM—we observed that at 340 K (65°C) these structures maintained 92% of their original high efficiency of ~20% at 300 K, which represents a high level of thermal stability under the high PCE condition.

Multiple valued logic (MVL) has proven to be a better alternative and solution to the challenges of traditional binary logic because of its fast computation, fewer interconnects, and small die. It is a potential candidate for future digital design because it allows energy-efficient, low-complex, and high-speed circuits. This paper introduces a new resistive-load two-dimensional field effect transistor-based ternary logic gates, wherein the active resistive-load is replaced with memristor to reduce chip area and power consumption. A memristor-based standard ternary inverter (STI) is designed using GNRFET, MoS2 FET, WSe2 FET, and FinFET, and their performance metric such as delay, power, and energy delay product (EDP) are analyzed. The results show that the proposed design achieves 50% reduction in circuit area, the average power dissipation is reduced by 11.7X, 6.8X, and 3.2X for GNRFET, MoS2 FET, and WSe2 FET, respectively, as compared to FinFET-based ternary inverter. Moreso, other logic gates such as OR, NOR, AND and NAND were simulated in T-SPICE EDA tool, and the results and truth table are in good agreement.

A novel solution-processed graphene-based material was synthesized by treating graphene oxide (GO) with 2,5,7-trinitro-9-oxo-fluorenone-4-carboxylic acid (TNF-COOH) moieties, via simple synthetic routes. The yielded molecule N-[(carbamoyl-GO)ethyl]-N’-[(carbamoyl)-(2,5,7-trinitro-9-oxo-fluorene)] (GO-TNF) was thoroughly characterized and it was shown that it presents favorable highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels to function as a bridge component between the polymeric donor poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl] thieno[3,4-b]thiophenediyl}) (PTB7) and the fullerene derivative acceptor [6,6]-phenyl-C₇₁-butyric-acid-methylester (PC₇₁BM). In this context, a GO-TNF based ink was prepared and directly incorporated within the binary photoactive layer, in different volume ratios (1-3% ratio to the blend), for the effective realization of inverted ternary organic solar cells (OSCs) of the structure ITO/PFN/PTB7:GO-TNF:PC₇₁BM/MoO₃/Al. The addition of 2% v/v GO-TNF ink led to a champion power conversion efficiency (PCE) of 8.71% that was enhanced by ~13% as compared to the reference cell.

Traditional silicon binary circuits continue to face challenges such as high leakage power dissipation and large area of interconnections. Multiple-Valued Logic (MVL) and nano-devices are two feasible solutions to overcome these problems. In this paper, we present a novel method to design ternary logic circuits based on Carbon Nanotube Field Effect Transistors (CNFETs). The proposed designs use the unique properties of CNFETs, e.g., adjusting the Carbon Nanotube (CNT) diameters to have the desired threshold voltage and have the same mobility of P-FET and N-FET transistors. Each of our designed logic circuits implements a logic function and its complementary via a control signal. Also, these circuits have a high impedance state which saves power while the circuits are not in use. We show a more detailed application of our approach by designing a two-digit adder-subtractor circuit. We simulate the proposed ternary circuits using HSPICE via standard 32nm CNFET technology. The simulation results indicate the correct operation of the designs under different process, voltage and temperature (PVT) variations. Moreover, we designed a two-digit adder/subtractor and a power efficient ternary logic ALU based on the proposed gates. Simulation results show that the two-digit adder/subtractor using our proposed gates has 12X and 5X lower power consumption and PDP (power delay product) respectively, compared to previous designs.

The new diprotic ligand 3,5-di-tert-butylsalicylaldehyde 4-ethyl-3-thiosemicarbazone, abbreviated H2(3,5-t-Bu2)-sal4eT, exists as the thio-keto tautomer and adopts the E-configuration with respect to the imine double bond as evidenced by single-crystal X-ray analysis and corroborated by spectroscopic characterisation. Upon treatment with Cu(OAc)2·H2O in the presence of either 2,9-dimethyl-1,10-phenanthroline (2,9-Me2-phen) or 1,10-phenanthroline (phen) as a co-ligand in MeOH, this thiosemicarbazone undergoes conformational transformation (relative donor-atom orientations: syn,anti → syn,syn) concomitantly with tautomerization and double deprotonation to afford the ternary copper(II) complexes [Cu{(3,5-t-Bu2)-sal4eT}(2,9-Me2-phen)] (1) and [Cu2{3,5-t-Bu2)-sal4eT}2(phen)] (2). Crystallographic elucidation has revealed that complex 1 is a centrosymmetric dimer of mononuclear copper(II) complex molecules brought about by intermolecular H-bonding. The coordination geometry at the copper(II) centre is best described as distorted square pyramidal in accord with the trigonality index (τ = 0.14). The co-ligand adopts an axial-equatorial coordination mode; hence there is a disparity between its two Cu–N coordinate bonds arising from weakening of the apical one as a consequence of the tetragonal distortion. The axial X-band ESR spectrum of complex 1 is consistent with retention of this structure in solution. Complex 2 is a centrosymmetric dimer of dinuclear copper(II) complex molecules exhibiting intermolecular H-bonding and π-π-stacking interactions. The two copper(II) centres, which are 4.8067(18) Å apart and bridged by the thio-enolate nitrogen of the quadridentate thiosemicarbazonate ligand, display two different coordination geometries, one distorted square planar (τ4 = 0.082) and the other distorted square pyramidal (τ5 = 0.33). Such dinuclear copper(II) thiosemicarbazone complexes, which are crystallographically characterised, are extremely rare. In vitro, complexes 1 and 2 outperform cisplatin as antiproliferative agents in terms of potency and selectivity towards HeLa and MCF-7 cancer cell lines.

Background: The ever-growing emergence of antibiotic resistance associated with tuberculosis (TB) has become a global challenge. In 2012, USFDA has given expedited approval to bedaquiline (BDQ), as a new treatment for drug-resistant TB in adults when no other viable options are available. BDQ is a diarylquinoline derivative and exhibits targeted action on mycobacterium tuberculosis but due to poor solubility desired therapeutic action is not achieved. Objective: To develop a QbD-based self-nanoemulsifying drug delivery system of Bedaquiline using various oils, surfactants, and co-surfactants. Methods: The quality target product profile (QTPP) and critical quality attributes (CQAs) were identified with a patient-centric approach which facilitated the selection of critical material attributes (CMAs) during pre-formulation studies and initial risk assessment. Caprylic acid as a lipid, propylene glycol as a surfactant and Transcutol-P as a co-surfactant were selected as CMAs for the formulation of Bedaquiline fumarate SNEDDS. Pseudo-ternary phase diagrams were constructed to determine the optimal ratio of oil and Smix. To optimize the formulation, a Box-Benkhen design (BBD) was used. The optimized formulation (BDQ-F-SNEDSS) was further evaluated for parameters such as droplet size, polydispersity index (PDI), percentage transmittance, dilution studies, stability studies, and cell toxicity through the A549 cell. Results: Optimized BDQ-F-SNEDDS showed well-formed droplets of 98.88±2.1 nm with a zeta potential of 21.16 mV. In vitro, studies showed enhanced drug release with a high degree of stability at 25 ± 2 ºC & 60 ± 5 % and 40 ± 2 ºC & 75± 5 %. Furthermore, BDQ-F-SNEDDS showed promising cell viability in A549 cells indicating BDQ-F-SNEDDS as a safer formulation for oral delivery. Conclusion: Finally, it was concluded that the utilization of a QbD approach in the development of BDQ-F-loaded SNEDDS offers a promising strategy to improve the biopharmaceutical properties of the drug, resulting in potential cost and time savings.

Vanadium(IV) chalcogenide materials are of increasing interest for use in catalysis and energy conversion-related applications. Since no ternary compounds are yet known in the V–Se–Te system, we studied ternary VwSeyTe2–y (w = 1.10, 1.13; y = 0.42, 0.72) phases crystallizing in space group P3m1 (no. 164). Two single-crystal specimens with differing compositions of a solid solution were obtained using the ceramic method. All products were characterized by either single-crystal or powder X-ray diffraction. The lattice parameters increase with rising tellurium content in accordance to the larger ionic radius of the tellurium anion compared to selenium. The chemical compositions were confirmed by energy dispersive X-ray spectroscopy. Further, magnetic measurements revealed mostly antiferromagnetic properties. Simultaneous differential scanning calorimetry/thermogravimetric analyses in nitrogen atmosphere showed endothermic decomposition accompanied by the formation of VN. The results of this work can serve as a basis for the synthesis of new phases in the V–Se–Te and related vanadium chalcogenide systems.