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The two CeIV MOFs [Ce6O4(OH)4(TzTz)6] (Ce_TzTz) and [Ce6O4(OH)4(TzTz)4(PyPy)2] (Ce_TzTz_PyPy; H2TzTz = [2,2′‐bithiazole]‐5,5′‐dicarboxylic acid, H2PyPy = 2,2′‐bipyridine‐5,5′‐dicarboxylic acid) are prepared starting from a pre‐formed [Ce6] glycinate‐capped cluster. N2 isotherms collected at 77 K revealed BET specific surface areas of 1136 and 238 m2 g−1, respectively. Their CO2 and N2O adsorption capacity is assessed at T = 273 and 298 K and p = 1 bar. Ce_TzTz shows the highest gas uptake (7.9 and 9.7 wt% at 298 K and 11.5 and 12.5 wt% at 273 K for CO2 and N2O, respectively). More interestingly, this homo‐linker MOF possesses a higher capacity, thermodynamic affinity [(Qst)CO2 = 18.2 kJ mol−1 vs (Qst)N2O = 25.4 kJ mol−1] and selectivity (IAST SN2O/CO2 = 1.6 at T = 273 K) toward N2O than the mixed‐linker sample. At variance, Ce_TzTz_PyPy shows a slightly higher capacity, thermodinamic affinity [(Qst)CO2 = 29.5 kJ mol−1 vs (Qst)N2O = 26.4 kJ mol−1] and selectivity (IAST SCO2/N2O = 1.4 at T = 298 K) toward CO2. DFT optimizations carried out on the [N2O@Ce_TzTz] and [CO2@Ce_TzTz_PyPy] systems revealed that the primary adsorption sites are the cerium ions of the [Ce6] metallic node for N2O and the thiazole N‐atoms on the TzTz linker for CO2, respectively. [ABSTRACT FROM AUTHOR]

Stille coupling between 5,5′-dibromo-4,4′-diphenyl-2,2′-bithiazole and 9-(2-ethylhexyl)-3-(tributylstannyl)-9H-carbazole in the presence of Pd(Ph3P)2Cl2 in toluene, heated at reflux for 2 h, gave 5,5′-bis[9-(2-ethylhexyl)-9H-carbazol-3-yl]-4,4′-diphenyl-2,2′-bithiazole in 85% yield. [ABSTRACT FROM AUTHOR]

Stille coupling between 5,5′-dibromo-4,4′-diphenyl-2,2′-bithiazole and 9-(2-ethylhexyl)-3-(tributylstannyl)-9H-carbazole in the presence of Pd(Ph3P)2Cl2 in toluene, heated at reflux for 2 h, gave 5,5′-bis[9-(2-ethylhexyl)-9H-carbazol-3-yl]-4,4′-diphenyl-2,2′-bithiazole in 85% yield.

Meso‐1,2‐diphenyl‐1,2‐ethylenediamine was reacted with salicylaldehyde derivatives, copper(II) perchlorate, and pyridine to produce various four‐coordinated heteroleptic [Cu (SBn)(py)]ClO4 (n = 1–4) complexes. Ligand exchange of the monodentate pyridine with bidentate 2,2′‐dimethyl‐4,4′‐bithiazole (BTZ) produced other new series of five‐coordinated [Cu (SBna)(BTZ)]ClO4 complexes. Elemental analysis, Fourier‐transform infrared spectroscopy (FT‐IR), and ultraviolet–visible (UV–Vis) spectroscopy were used to identify the complexes. The crystal structures of 1a and 2a were also determined by single‐crystal X‐ray crystallography (SCXRC). The inhibitory potential of these complexes against SARS‐CoV‐2 and its omicron variant main proteases (PDB IDs: 6LU7 and 7TLL, respectively) was investigated by means of molecular‐docking modeling. According to the estimated free binding energy (EFBE), the order of binding energies were (3) > (3a) > (1a) > (1) > (2a) > (4a) > (4) > (2) for 6LU7 and (1a) > (3) > (1) > (4) > (2) > (4a) > (2a) > (3a) for 7TLL. The complexes (1a) for 6LU7 and (3) for 7TLL with electronegative Br substituents were at the top of the series and had the most negative ΔGbinding. The EFBE of four conventional corona‐virus medicines, that is, remdesivir, hydroxychloroquine, dexamethasone, and AstraZeneca were also obtained and compared with the synthesized complexes. The EFBE of the complexes were comparable to standard drugs. [ABSTRACT FROM AUTHOR]

In this study, 4,4'-Bis(3-phenyl-3-methylcyclobutyl)-2,2'-bithiazole (C28H28N2S2) the single crystal structure consisting of some compound groups such as thiazole and phenyl was synthesized and characterized by IR, 1H NMR, and 13C NMR techniques. The molecular structure of the single crystal structure consisting of compounds that have a common usage area was analyzed by X-ray diffraction technique. The compound C28H28N2S2 was found to be in the monoclinic crystal system and the P21/c space group. The unit cell parameters of the molecular structure were obtained at a= 5.8461(6)Å, b= 35.806(4) Å, c= 11.6538(11) Å, a=1= 90° and ß= 93.774(8)°, z =4, and (volume) V= 2434.2(4) Å3 from the X-ray diffraction results. It is seen that the molecular structure C28H28N2S2 in the asymmetric unit is in a symmetrical structure. When the bond parameters of the molecular structure were compared with similar studies, the bond parameters were found to be quite compatible. The molecular structure C28H28N2S2 classically does not contain an intermolecular or intra molecular hydrogen bond. However, the C-H...p interactions have been observed between the phenyl carbon atoms and the phenyl ring centers, which allow the molecular structure to be stacked in space. [ABSTRACT FROM AUTHOR]

Bithiazole is considered as a domain of bleomycin which is countered as a chemotherapeutic drug to treat many types of cancer. Hence, the trend towards the design of model compounds containing the bithiazole moiety is increased recently. In this regard, the 2,2′-diamino-5,5′-dimethyl-4,4′-bithiazole organic ligand (L) is synthesized via a condensation reaction of 3,4-diaminobenzophenone with 2,3-butanedione monoxime. Moreover, its zinc(II) complex [Zn(L)3](NO3)2CH3OH (ZnL3) is synthesized and subsequently characterized by various analytical techniques, including Infrared spectroscopy, proton nuclear magnetic resonance, carbon nuclear magnetic resonance, thermal gravimetric-differential thermal analysis, and single crystal X-ray diffraction. Based on single crystal X-ray data, the ZnL3 complex belongs to the triclinic system with the space group P-1. In ZnL3, one of L ligands acts as a monodentate ligand to form the five-coordinated Zn(II) complex, giving a distorted trigonal bipyramidal geometry around the metal atom. Finally, UV-Vis and fluorescence spectroscopy is used to investigate the photophysical properties of the material explained via density functional theory. [ABSTRACT FROM AUTHOR]

The new donor-acceptor copolymer with triethylsilylethynylanthradithiophene as donor and bithiazole as acceptor, poly(triethylsilylethynylanthradithiophene-bithiazole) (PTesADT-BTz), was synthesized through stille coupling. The structure of obtained polymer was characterized by H NMR and FT-IR. The number average molecular weight (Mn) and weight average molecular weight (Mw) were measured to be 13 and 23 kDa, respectively, and the polydispersity index was 1.76. The polymer was analyzed by UV-visible spectroscopy, cyclovoltammetry, thermogravimetric analysis, and differencial scanning calorimetry. The organic field effect transistor (OFET) employing PTesADTBTz spin-cast from chloroform solutions at 100 °C annealing showed the mobility of 4.93 × 10−6 cm2/V·s, on/off ratio of 2.20 × 102, and a threshold voltage of 29.7 V. [ABSTRACT FROM AUTHOR]

Two push-pull type conjugated polymers - PIDTT−BTz and PIDTT−DTBTz , based on the ladder-type donor unit indacenodithieno[3,2- b ]thiophene (IDTT) and bithiazole (BTz) as acceptor component - are designed and synthesized for photovoltaic applications. The polymers exhibit relatively high optical gaps of ~2.0 eV with strong absorption in the range of 400–600 nm, rendering them of particular interest for the harvesting of indoor light and/or multijunction devices. Electrochemical investigations indicate a lower highest occupied molecular orbital energy level (−5.44 eV) for PIDTT−BTz as compared to PIDTT−DTBTz (−5.36 eV), enabling to achieve a higher open-circuit voltage. Under solar illumination, the best power conversion efficiency (5.1%) is achieved for the combination PIDTT−DTBTz :PC 71 BM (compared to 4.6% for PIDTT−BTz :PC 71 BM). Image 1 • High gap copolymers based on indacenodithieno[3,2- b ]thiophene and bithiazole are synthesized. • The polymers are applied in bulk heterojunction polymer:fullerene solar cells. • Power conversion efficiencies up to 5.1% are achieved under solar illumination. • The binary blends are attractive for multijunction and ternary blend devices. • The presented polymer solar cells are of particular interest for indoor photovoltaics. [ABSTRACT FROM AUTHOR]

An optimized direct arylation polycondensation (DAP) protocol for the synthesis of a novel naphthalene diimide (NDI) 2,2′‐bithiazole (2‐BTz) copolymer (PNDI‐2‐BTz) is presented. The regioselective C–H activation of 2‐BTz at the 5‐positions allows for the synthesis of fully regioregular and homocoupling‐free PNDI‐2‐BTz of high molecular weight in less than 1 h in quantitative yield. Complete end group assignment shows functionalities according to monomer structures or to nucleophilic substitution, and allows for the reliable determination of absolute molecular weight. Compared to the well‐known bithiophene analog PNDIT2, an exceptionally high thermal stability, a hypsochromically shifted charge transfer absorption band and a lower‐lying LUMO energy level is found, making PNDI‐2‐BTz an interesting candidate for applications in organic electronic devices. In contrast to the selective and high yielding C–H activation of 2‐BTz at the 5‐position, the regioisomer 5,5′‐bithiazole is inactive under a variety of conditions. A conjugated naphthalene diimide 2,2′‐bithiazole copolymer has been synthesized through a regioselective C–H activating polycondensation procedure. The low‐lying LUMO of the resulting polymer makes it a promising candidate for application in organic electronic devices. [ABSTRACT FROM AUTHOR]

An efficient wide bandgap conjugated polymer (PTZ6) based on alkoxylphenyl substituted benzodithiophene as donor unit and bithiazole as acceptor unit was developed for polymer solar cells (PSCs). The polymer exhibited a wide bandgap of 2.0 eV with strong absorption in the range of 300–620 nm, and a low-lying highest occupied molecular orbital (HOMO) energy level of −5.36 eV. The PSCs based on PTZ6: PC 71 BM show a PCE of 8.1% with a V oc of 0.96 V, a J sc of 10.9 mA cm −2 and a high FF of 76.7%, which is among the highest values for the fullerene PSCs based on conjugated polymer donors with bandgap near to 2.0 eV. Moreover, for this blend system, the photovoltaic performance of the devices changes little when the active layer thickness increases from 90 nm to 220 nm. More importantly, the non-fullerene PSCs based on PTZ6: ITIC exhibit a PCE of 10.3% with a high V oc of 1.01 V, which should be the best value for the non-fullerene PSCs with the E loss less than 0.6 eV to date. Our results indicate that PTZ6 is a promising wide bandgap polymer donor for the photovoltaic application in PSCs. [ABSTRACT FROM AUTHOR]

The reaction of copper(II) bromide with 2,2′-dimethyl-4,4′-bithiazole (dm4bt) affords a dimer complex, [{CuBr(dm4bt)}(µ-Br)] ( 1), in CHOH/CHCN; and a monomer complex, [Cu(dm4bt)Br(DMSO)] ( 2), in DMSO. Monomer copper(II) complex [Cu(4bt)Br(DMSO)] ( 3) also resulted from the treatment of the copper salt with 4,4′-bithiazole (4bt) in DMSO. The complexes were characterized by elemental analysis, IR, UV and X-ray crystallography. The interaction of monomeric complexes 2 and 3 with calf thymus DNA (CT DNA) has been explored by using absorption, emission and thermal denaturation, where they exhibit high interaction ability with CT DNA, with intrinsic binding constants K of 1.58 × 10 and 1.24 × 10 M at 298 K, for complexes 2 and 3, respectively. Furthermore, the intermolecular interaction between the mentioned copper complexes and bovine serum albumin (BSA) under imitated physiological conditions was investigated using UV-Vis and fluorescence. Tryptophan-quenching experiment illustrated that both complexes strongly bind BSA, with dynamic quenching constants of about 1 × 10 M s at 298 K, and a single class of binding site for the complexes on BSA. [ABSTRACT FROM AUTHOR]

New bithiazolyl hydrazones ( 6a – l ) have been first time synthesized by carrying novel one pot cyclocondensation of 5-acyl thiazoles ( 1a – b ), thiosemicarbazide ( 2 ) and substituted phenacyl chlorides ( 4a – f ) in freshly prepared ionic liquid, diisopropyl ethyl ammonium acetate (DIPEAc) at room temperature. The newly synthesized compounds have been evaluated for their antitubercular activity and the compounds 3b , 6a , 6b , 6d , 6e , 6f , 6g , and 6l have displayed noticeable antitubercular activity compared to Rifampicin with tolerable cytotoxicity. All these compounds were also screened for their antibacterial activity and found that, compounds 6j and 6k have exhibited a very good antibacterial activity. Molecular docking study has shown better harmony with the evaluation trend shown by these compounds under in vitro antitubercular screening. [ABSTRACT FROM AUTHOR]

The most appealing oxidant, molecular oxygen, is employed for the first time as the sole oxidant in the transition metal-catalyzed oxidative direct arylation polymerization (C−H/C−H-type DArP), which eliminates by-product formation of stoichiometric metal salts except for water . Compared to conventional approaches, other than the avoidance of an end-capping procedure, the current protocol is remarkably advanced in the aspect of eco-friendliness, step- and cost-economy, and, of special significance, the purity of polymer products. As illustrative examples, six 5,5′-bithiazole-based polymers are synthesized using this new method, demonstrating higher number-average molecular weight ( Mn up to 33 700) in better yields (up to 93 %) through only one step. The evolution of C−H/C−H-type DArP from heavy metal salts to O2 alone as the oxidant could solve the problem of metal residues in polymers, which is considered harmful to the performance of devices. [ABSTRACT FROM AUTHOR]

In this work, we utilized two fluorene-based polymers (F8TBTTandF8TTZT) as donor materials in organic photovoltaic cells (OPVs) and compared their performance to explain the effect of substituting fused thiazolothiazole for the bithiazole moiety. The OPV device based onF8TTZTshowed a power conversion efficiency of 0.24%, which is three times higher than that ofF8TBTT(0.07%) under the same conditions. The better performance can be explained by the increased planarity and enhanced intermolecular charge transport. [ABSTRACT FROM AUTHOR]

Detecting viscosity is vital for pathological investigation since subtle changes in cellular microviscosity are related to pathologies and diseases. In this work, five cationic Ir(III) complexes Ir1–Ir5 with the formulas as [Ir(ppy) 2 L ]PF 6 have been synthesized, where L1-L5 are a family of coplanar bithiazole derivatives having versatile donor/acceptor tails (proton, bromo, tetraphenylethylene, benzothiophene, ethyl benzoate). Fluorescent experiment shows that L1-L5 have a fluorescent activity with high quantum yields (Ф > 33%). However, the quantum yields of Ir1–Ir5 are weak in the range from 2.7% to 7.7%. There is a linear relationship between Log(I 620 nm) and Log(viscosity), which can quantitatively measure viscosity in the range of 1.36–669 cP. Furthermore, a cell colocalization experiment has been performed using commercial nuclear dye (DAPI), lysosomal dye (LysoGreen), and mitochondrial dye (MitoGreen) to explore the subcellular localization ability of Ir1 in living cells, indicating that the probe Ir1 can easily pass through the cell membrane, and can accurately target lysosomes in living cells. In addition, complex Ir1 can quantitatively detect viscosity and target lysosomes, possessing the potential for practical application in intracellular viscosity detection. [Display omitted] • Bithiazole-based iridium (III) complexes are presented for the first time. • Complex Ir1 shows the preferable performance of viscosity detection. • There is a linear relationship between Log(I 620 nm) and Log(viscosity). • The HOMO-LUMO relationship between theoretical and experimental is proposed. [ABSTRACT FROM AUTHOR]

To extract improved charge carrier mobility from a benzo[1,2- b :4,3- b ′]dithiophene (BdT) based polymer, PDodBdTBTz was synthesized by directly attaching 7,8-didodecyloxybenzo[1,2- b :4,3- b ′]dithiophene (BdT-Dod) and 4,4′-dibutyl-2,2′-bithiazole (BTz) by Pd(II)-catalyzed Stille polymerization and characterized by 1 H NMR and UV–vis spectroscopy, GPC, CV, TGA, DSC and AFM. The copolymer exhibited a p-type mobility of ∼10 −5 cm 2 V −1 s −1 that improved to 7.6 × 10 −3 cm 2 V −1 s −1 after annealing at its T c of 230 °C. This is the highest value of hole mobility among any benzo[1,2- b :4,3- b ′]dithiophene (BdT) containing polymer and more than 10 times higher than any previous report of hole mobility from any BdT based polymer. [ABSTRACT FROM AUTHOR]

Nano-scale and single crystals of a new tris-chelate Zn(II) compound, {[Zn(DADMBTZ)3](SCN)2⋅4H2O}n, (1), {DADMBTZ = 2,2'-diamino-5,5'-dimethyl-4,4'-bithiazole} have been synthesized by the reaction of zinc(II) sulfate, ammonium thiocyanate and DADMBTZ using sonochemical and branched tube methods, respectively. The new nanoparticles were characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and FT-IR spectroscopy. Compound (1) was structurally characterized by single crystal X-ray diffraction. Compound (1) form a tris-chelate complex with nearly C3 symmetry. The coordination number of zinc atom in the compound is six with coordinated environments of distorted octahedral, ZnN6. In reaction with DADMBTZ, the ligand DADMBTZ acts as bidentate in compound to form five-membered chelate rings with the same internal angles in coordination polyhedron. The crystal packing is mainly stabilized by N-H- - - -N hydrogen bonding interactions. The thermal stability of compound (1) was studied by thermal gravimetric (TG) and differential thermal analyses (DTA). ZnS nanostructures were obtained by direct thermolyses of compound (1) at 400 °C under argon atmosphere. The ZnS nanoparticles were characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and Fourier transform infrared (FT-IR) spectroscopy. [ABSTRACT FROM AUTHOR]

Mononuclear cationic half-sandwich arene Ru(II) and Cp*Rh(III)/Cp*Ir(III) compounds with the general formula [(η6-arene)Ru(L)Cl]+ and [Cp*M(L)Cl]+ have been isolated by the reaction of bithiazole ligands {2,2'-dimethyl-4,4'-bithiazole (dm4bt), 2,2'-diamino-4,4'-bithiazole (da4bt), and 2,2'-diphenyl-4,4'-bithiazole (dp4bt)} with the precursor compounds [(η6-arene)Ru(µ-Cl)Cl]2 (arene = C6H6, p-iPrC6H4Me or C6Me6) and [Cp*M(µ-Cl)Cl]2 (M = Rh, Ir). These compounds were isolated as SbF6 salts and fully characterized by spectral studies. Some representative compounds were confirmed by single crystal X-ray crystallographic studies. Chemo-sensitivity activities of compounds 1, 5, 11, 12, 14 and 15 were evaluated against two human breast carcinoma cell lines (MDA-MB-231 and T47D). There is a clear SAR seen, where the iridium-based complexes with the dp4bt ligand are much more potent than the ruthenium and rhodium complexes. [ABSTRACT FROM AUTHOR]

ABSTRACT Two new copolymers, P1 and P2, containing 5,5-bis(dodecyloxymethyl)−5,6-dihydro-4 H-cyclopenta[ c]thiophene (DCPT) or DCPT-based thiophene trimer (as donor) and 4,4′-dibutyl-2,2′-bithiazole (BTz, as weak acceptor) have been synthesized. To reduce the steric hindrance and enhance the conjugation, the thiophene spacers have been incorporated between DCPT and BTz in P2, which play an important role in maintaining the side chain ordering and π-stacking interactions. Both the polymers showed π-stacking with similar distances (∼0.37 nm) but with larger extent in P2. Combination of DCPT with BTz has resulted in low lying HOMO levels for the resulting polymers with significant improvement in oxidative stability. P1 and P2 showed p-type mobility of 0.03 and 0.052 cm2 V−1 s−1 with current on/off ratio ( Ion/ Ioff) in the order of 104 and 103, respectively. These differences in characteristics may be attributed to the variation in donor (D)-acceptor (A) property, supramolecular ordering, extent of π-stacking, and film microstructure. The polymers were further characterized by GPC, TGA, DSC, PXRD, cyclic voltammetry, and atomic force microscopy. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 4481-4488 [ABSTRACT FROM AUTHOR]

Highlights: [•] Three new organic dyes with bithiazole moiety have been synthesized. [•] The orientation of the bithiazole units plays a key role in dye aggregation. [•] The best efficiency was 6.31%, which reached 86% of N719-based DSSC. [ABSTRACT FROM AUTHOR]

Abstract: Five bithiazole-based organic dyes D 1 –D 5 containing different electron donor moieties (thiophene, fluorene, carbazole, and triarylamine) in the molecular frameworks were synthesized, characterized and applied in dye-sensitized solar cells (DSSCs). The effects of electron-donating moieties of the organic dyes on their photophysical, electrochemical, and photovoltaic properties have been investigated in detail. These dyes exhibit strong charge transfer absorption bands in the visible region. Their redox potential levels were estimated by cyclic voltammetry and found to match well with the charge flow in DSSCs. The combination of broad absorption bands with fairly high extinction coefficients and appropriate redox properties makes these bithiazole-based molecules promising dyes for DSSCs. For solar cell device based on D 4 , the maximal monochromatic incident photon-to-current conversion efficiency (IPCE) can reach up to 68.5%, with a short-circuit photocurrent density (J sc) of 9.61 mA cm−2, an open-circuit photovoltage (V oc) of 0.70 V and a fill factor (FF) of 0.70, which results in a power conversion efficiency (PCE) of 4.65% under illumination of an AM 1.5 solar cell simulator. [Copyright &y& Elsevier]

Abstract: Two new mononuclear iron(II) complexes, [Fe(4bt)2(NCS)2] (1) and [Fe(dm4bt)2(NCS)2] (2), were prepared from the treatment of FeCl2·4H2O and KSCN salts with 4,4′-bithiazole (4bt) and 2,2′-dimethyl-4,4′-bithiazole (dm4bt), respectively and their structures and magnetisms were studied. Crystal structure determination revealed similar distorted octahedral [FeN6] moiety for both high spin iron(II) complexes. Fe–N distances are seen in 1 and 2 to be in the range of 2.085(8)–2.173(3) for Fe–NNCS and 2.178(3)–2.279(7)Å for Fe–Nbt which is consistent with the assigned iron spin and oxidation states. Temperature dependent χ m T showed that the complexes are magnetically resembled and behave as S =2 systems with some zero-field splitting. Complexes 1 and 2 were also studied in solution by means of 1H NMR and UV–Vis spectroscopy techniques. [Copyright &y& Elsevier]

A novel conjugated hyperbranched polymer containing bithiazole rings (PBTADB) was synthesized by polycondensation of 1,3,5-benzenetricarboxaldehyde and 2,2′-diamino-4,4′-bithiazole (DABT). The structure of the hyperbranched polymer was confirmed by FT-IR and H-NMR. PBTADB dissolved in organic polar solvents such as DMSO and NMP. Bithiazole rings were introduced to provide bidentate N-donor sites for binding metal ions. The metal complexes were prepared by chelation of the polymer with Co and Sm. The magnetic behavior of coordination compounds was measured as a function of magnetic field strength (0−4.8 × 10 A/m) at 5 K and as a function of temperature (5-300 K) at magnetic field strength of 2.4 × 10 A/m. The magnetic hysteresis loops of PBTADB-Sm and PBTADB-Co showed the typical 'S' shape at 5 K with the Curie-Weiss temperature T = 96 K and 41 K respectively. The results show that they exhibit properties of soft ferromagnetic materials. [ABSTRACT FROM AUTHOR]

Nanoparticles of a Zn(II) coordination polymer {[Zn(DADMBTZ)(CH3COO)2] n , DADMBTZ = 2,2′-diamino-5,5′-dimethyl-4,4′-bithiazole} were synthesized by reaction of Zn(NO3)2 · 4H2O, CH3COONH4 and DADMBTZ by a sonochemical method. The nanoparticles were characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD), and Fourier transform infrared (FT-IR) spectroscopy. [Zn(DADMBTZ)(CH3COO)2] n was structurally characterized by single-crystal X-ray diffraction. In this four-coordinate compound with nearly C2 symmetry, DADMBTZ is bidentate. The metal lies in a pseudo-tetrahedral environment and is ligated by the two bithiazole ring nitrogen atoms and an oxygen from each of the two monodentate acetates; 2-D networks are formed via N–H···O hydrogen bonds. Thermal stability of [Zn(DADMBTZ)(CH3COO)2] n was studied by thermal gravimetric and differential thermal analyses. A ZnO nanostructure was obtained by direct thermolyses at 500°C under air. The ZnO nanostructure was characterized by SEM, XRD, and FT-IR spectroscopy. [ABSTRACT FROM AUTHOR]

Abstract: A new class of soluble, solution-processable heterobimetallic platinum(II)-acetylide polymers functionalized with some rhenium(I)-bithiazole based spacers and their corresponding model complexes were synthesized and characterized. The photophysical (absorption and emission spectra), thermal and electrochemical properties of the polymers were investigated in detail. These mixed-metal PtRe polymers exhibited good thermal stability and strong low-energy broad absorption bands in the visible region. The effects of metal complexation of the bithiazole group with ReCl(CO)5 as well as adding thiophene ring along the polymer backbone on the optical bandgaps of these organometallic polymers were examined. The bandgaps of these polymers were found to be controllable readily by chemical means and can be lowered from 2.18 to 1.89 eV as the number of thiophene ring was increased from 0 to 2. Upon coordination with Re(CO)3Cl moiety, the optical gap of the polymer can be reduced by as large as 0.25 eV. [Copyright &y& Elsevier]

Abstract: A series of donor–acceptor–donor small molecules (1–3) with bithiazole as acceptor unit, triphenylamine as donor unit and thiophene with different number (0, 1, 2) as bridge were synthesized by palladium(0)-catalyzed Suzuki or Stille coupling reactions. The thermal, optical, electrochemical, charge transport, and photovoltaic properties of these small molecules were examined. All compounds exhibit excellent thermal stability with decomposition temperatures (5% weight loss) over 390°C in nitrogen atmosphere. As increasing the number of thiophene and π-conjugation length of molecule, the absorption maximum in film red shifts from 406 to 498nm, the extinction coefficient increases from 1.35×104 to 7.66×104 M−1 cm−1, and the optical band gap decreases from 2.6 to 2.0eV. The electron-donating thiophene and bithiophene in compounds 2 and 3 up-shift HOMO energy level from −5.42 (1) to −5.24eV (2) or −5.22eV (3), and down-shift LUMO energy level from −2.48 (1) to −2.84eV (2) or −2.81eV (3). The hole mobility of compound 3 is up to 3.6×10−4 cm2 V−1 s−1, which is one order of magnitude higher than that of compound 2, but compound 1 shows no field-effect transistor performance. Solution-processed bulk heterojunction organic solar cells based on 1–3:PC71BM (1:4, w/w) blend films exhibit increasing power conversion efficiency (up to 2.61%) as increasing thiophene unit number. [Copyright &y& Elsevier]

Abstract: Various polycharged calix[4]arenes were assayed as anti-mycobacterial agents against Mycobacterium tuberculosis, H37Rv strain. The sulfonate, carboxylate and phosphonate anionic species displayed no activity. Cationic derivatives integrating four aminoethyl groups at the upper rim and two 6,6′-dimethyl-2,2′-bipyridyl- or 4,4′-dimethyl-2,2′-bithiazolyl subunits at the lower rim were also found inactive against M. tuberculosis, while the unsubstituded and the 5,5′-dimethyl-2,2′-bipyridyl–analogues exhibited MIC values of 3.2 and 0.8μM respectively. Introduction of guanidinoethyl groups at the upper rim resulted, except for the 6,6′-dimethyl-2,2′-bipyridyl-derivative, in high anti-mycobacterial activities for the unsubstituted, the 5,5′-dimethyl-2,2′-bipyridyl– and the 4,4′-dimethyl-2,2′-bithiazolyl analogues, with MIC values of 0.8, 0.8 and 1.6μM, respectively, similar to those of current commercial anti-tuberculosis agents. The five more active substances were also evaluated against the isoniazid-resistant strain MYC5165, resulting in highly interesting micromolar or sub-micromolar MIC and IC50, ca. 4–125 times more active than isoniazid. These preliminary results are attractive for the development of new anti-TB agents. [Copyright &y& Elsevier]

Abstract: In this work, a new series of linear and multi-branched bithiazole-based dyes (BTZ-I–IV) possessing terminal triphenylamine group were synthesized and characterized, and their one-and two-photon absorption properties have been investigated. These new compounds exhibited large two-photon absorption cross sections (σ), in which the σ data measured by the open aperture Z-scan technique were determined to be 173, 429, 1132 and 1665 GM for BTZ-I, BTZ-II, BTZ-III and BTZ-IV, respectively. A considerable increase in the value of 2PA cross section was obtained when triple bonds were introduced and the dimensionality and chromophore density increased. [Copyright &y& Elsevier]

A novel alkoxysilylated derivative based on 2,2′-diamino-4,4′-bithiazole (DABTH) was firstly synthesized. The corresponding polysilsesquioxane (PBSIBTH) and its metal complexes (PBSIBTH-Eu, PBSIBTH-Tb and PBSIBTH-Ni) were also obtained via sol-gel method, respectively. The morphology of their xerogels was investigated by scanning electron microscopy means. The magnetic measurements of these polymer complexes show all obtained solid materials feature soft ferromagnet properties at low temperature. The metal ions in polymer complexes have a significant influence on both microstructure and magnetic properties. [ABSTRACT FROM AUTHOR]

Abstract: A new Cd(II) complex, [Cd(DADMBTZ)2(NO2)2], DADMBTZ=2,2′-diamino-5,5′-dimethyl-4,4′-bithiazole, has been synthesized and characterized by IR, 1H, 13C NMR spectroscopy, elemental analysis and single crystal X-ray determination. The thermal behavior, UV–Vis and fluorescence spectra of compound were studied. The coordination number of cadmium atom in complex is six with coordinated environments of distorted octahedral, CdN4O2. In reaction with DADMBTZ, the ligand DADMBTZ acts as bidentate in complex to form five-membered chelate rings with different internal angles in coordination polyhedron. Two monodentate nitroto ions occupy the equatorial position. The crystal packing is mainly stabilized by NO and NN hydrogen bonding interactions. The CdS nanoparticles has been prepared using [Cd(DADMBTZ)2(NO2)2] as precursor via thermal decomposition. As-prepared CdS nanocomposite was characterized by X-ray diffraction measurements (XRD), scanning electron microscopy (SEM). This study demonstrates that bithiazole complexes may be suitable precursors for preparation of nanoscale materials. [ABSTRACT FROM AUTHOR]

The synthesized ligand (DADMBTZ = 2,2'-diamino-5,5'-dimethyl-4,4'-bithiazole) is used for preparing these two new 1 : 2 adducts of [Pb(DADMBTZ)2(NO3)X] X = CH3COO- (1) and [image omitted] (2) complexes. Characterization was done by IR, 1H- and 13C-NMR spectroscopy, elemental analysis, and single crystal X-ray determination. UV-Vis and fluorescence spectra were studied. Thermal stabilities of 1 and 2 were studied by thermal gravimetric (TG) and differential thermal analysis (DTA). The coordination number of Pb in 1 is seven (four by the chelating DADMBTZ, two oxygens of acetate and one oxygen of nitrate), whereas in 2 it is five (four by the chelating DADMBTZ and one oxygen of nitrate). Coordination geometries of 1 and 2 show a possible vacant site around Pb(II), occupied possibly by a stereoactive lone pair of electrons on lead(II); coordination around lead is hemidirected with a significant gap trans to chelating DADMBTZ, nitrate, and acetate. Both 1 and 2 make 3-D networks via N-H ··· O and N-H ··· N hydrogen bonds; O-H ··· O hydrogen bonds are found in the network for 1. [ABSTRACT FROM AUTHOR]

We designed and synthesized a series of conjugated polymers containing alternating 4H-cyclopenta[2,1-b:3,4-b']dithiophene units and comonomers consisting of 2,2'-bithiophene, 3'', 4'' -dihexyl-α -pentathiophene, 3,4-ethylenedioxythiophene and 5,5' -bis(2-thienyl)-4,4' -dihexyl-2,2' -bithiazole. These polymers possess optical bandgaps in the range of 1.75 to 2.0 eV. The desirable absorption attributes of these materials make then excellent candidates for use in photovoltaic cells. Electrochemical studies indicate desirable HOMO-LUMO levels for use with fullerene derivatives as electron transporters. Field effect transistors made of these materials show hole mobilities in the range of 7.5 × 10-4 cm2/Vs to 2.0 × 10-3 cm2/Vs. Due to the combination of these characteristics, power conversion efficiencies up to 3.1% were achieved on devices made of bulk heterojunction composites of these materials with soluble fullerene derivatives. [ABSTRACT FROM AUTHOR]

Abstract: Nine anionic water-soluble calix[4]arene species, incorporating sulfonate, carboxylate or phosphonate groups, six of them incorporating two 2,2′-bithiazole subunits in alternate position at the lower rim, have been synthesised and evaluated as anti-HIV agents on various HIV strains and cells of the lymphocytic lineage (HIV-1 III B/MT4, HIV-1 LAI/CEM-SS, HIV-1 Bal/PBMC), using AZT as reference compound. A toxicity was detected for a minority of compounds on PBMC whereas for the others no cellular toxicity was measured at concentrations up to 100μM. Most of the compounds have an antiviral activity in a 10–50μM range, and one of them, sulfonylated, displays its activity, whatever the tropism of the virus, at a micromolar concentration. [Copyright &y& Elsevier]

Abstract: The tetra-para-guanidinoethyl-calix[4]arene, its distally-disubstituted ether derivatives involving 2,2′-bithiazolyl- or 2,2′-bipyridyl-methyl groups, as well as the para-guanidinoethylphenol and its analogous derivatives have been synthesized, fully characterized and evaluated as antibacterial agents towards both Gram positive and Gram negative reference bacteria. The simple phenolic species showed lower activity than their calixarene analogues, confirming the hypothesis that a synergistic effect should result from the spatial organization of guanidinium and heterocycles on a macrocyclic scaffold. Introduction of the bithiazole and bipyridine substituents enhanced the activity of simple phenol derivatives, reaching, for the two Staphylococcus aureus strains in particular, the values obtained for their calixarenic parents. MTT viability assays were carried out to determine selectivity indexes. [Copyright &y& Elsevier]

Two poly(Schiff base)s (PDBT and PDPE) were synthesized by polycondensation of 1,10-phenanthroline-5,6-dione (PD) with 2,2′-diamino-4,4′-bithiazole (DABT) and 4,4′-diaminodiphenyl ether (DAPE), respectively. The structures of the polymers were determined by FTIR and element analysis. The metal (Fe2+, Ni2+) complexes were prepared from the polymers with FeSO4 or NiSO4, and the metal contents of the complexes were measured by complexometric titration. The magnetic behaviors of the complexes were examined as a function of magnetic field strength at 4 K and as a function of temperature (4–300 K) at a magnetic field strength of 2.4 × 106 A/m. The results show that the relative saturation magnetization of the PDBT complexes is higher than that of the corresponding PDPE complexes, and PDBT-Ni2+ and PDPE-Ni2+ are soft ferromagnets, while PDBT-Fe2+ and PDPE-Fe2+ exhibit the features of antiferromagnet. [ABSTRACT FROM AUTHOR]

Abstract: The synthesis and ΔF508-CFTR corrector activity of a 148-member methylbithiazole-based library are reported. Synthetic routes were devised and optimized to generate methylbithiazole analogs in four steps. Corrector potency and efficacy were assayed using epithelial cells expressing human ΔF508-CFTR. These structure–activity data establish that the bithiazole substructure plays a critical function; eight novel methylbithiazole correctors were identified with low micromolar potencies. [Copyright &y& Elsevier]

Abstract: The chromophore 3,3′-bithiazolo[3,4-a]pyridinium 1, obtained by oxidative cyclization reactions using a tetrathiafulvalene as a leaving group, strongly absorbs at the violet end of the visible region as evidenced by its yellow color. The solution (MeCN) spectrum displays an intensive, broad absorption band around 377nm with a ε value of 8×103 lmol−1 cm−1. The chromophore also shows a strongly Stokes-shifted fluorescence emission with a lifetime τ of 2.8±0.1ns in acetonitrile solution. Herein, we describe the photophysical properties and a theoretical investigation of the electronic structure of the chiral dicationic, bis(bicyclic) ring assembly 1. [Copyright &y& Elsevier]

Abstract: Two new mononuclear mercury(II) alkynyl complexes containing substituted bithiazole unit [R–CHgMe] (2) and [R–CHg–CR] (3) (R=4,4′-di(tert-butyl)-2,2′-bithiazol-5-yl) were prepared in good yields by mercuration of 4,4′-di(tert-butyl)-5-ethynyl-2,2′-bithiazole (1) at room temperature via the dehydrohalogenation reaction of MeHgCl and HgCl2 with terminal acetylene R–Ctructures of the title compounds were characterized by NMR and IR spectroscopy, FAB mass spectrometry, X-ray crystallography and luminescence spectra. A new protocol for derivatization of inorganic and organic mercury(II) ions to mono- and dialkynyl mercury(II) compounds followed by extraction into dichloromethane is suggested, which can be effectively analyzed by HPLC technique using UV detection. The proposed procedure can offer a new opportunity for the simultaneous determination of inorganic Hg(II) and MeHg(II) in aqueous solutions. [Copyright &y& Elsevier]

Abstract: Two novel poly(Schiff base)s (PPHBT and PPHPHN) were prepared by polycondensation of 2,2′-diamino-4,4′-bithiazole (DABT), 5,6-diamino-1,10-phenanthroline (DAPH) with bisdecyloxyterephthaldehyde (BDTA), respectively. The structures of the poly(Schiff base)s were determined by IR and 1H NMR spectroscopy. The Nd3+ complexes of poly(Schiff base) were prepared and characterized. The contents of Nd for complexes were measured by complexometric titration. The magnetic behavior of the complexes was examined as a function of magnetic field strength at 4K and as a function of temperature (4–300K). The results show that both PPHBT-Nd3+ and PPHPHN-Nd3+ exhibit the characteristic of soft-magnetic materials at low temperature. [Copyright &y& Elsevier]

Abstract: Two novel fully conjugated polymers containing bithiazole rings (PDDBTz and PDABTz) were first synthesized by polycondensation of 2,7-dimethyl-2,4,6-octatriene-1,8-dial with 2,2′-bis(diethylphosphinatyl methyl)-4,4′-bithizole or 2,2′-diamino-4,4′-bithiazole (DABT). The structure of the polymers was determined by IR, 1H NMR and elemental analysis. PDDBTz is soluble in trifluoroacetic acid and DMSO, whereas PDABTz is soluble in common solvent such as THF, DMSO, DMF. Bithiazole rings were introduced to provide bidentate N-donor sites for binding metal ions. Their lanthanide metal complexes were prepared. The magnetic behavior of these polymeric complexes was measured as a function of magnetic field strength (0–60kOe) at 4K and as a function of temperature (4–300K) at magnetic field strength of 30kOe. The results show that they all exhibit features of soft ferromagnet. [Copyright &y& Elsevier]

Abstract: A new polymer (poly[N,N′-(2-amino-5-carboxy-1,3-phenylenedimethylene)-2,2′-diamino-4,4′-bithiazole], PACPDMDABT) containing amino and carboxy groups was synthesized. This polymer can be used as a disperse phase to prepare excellent electrorheological (ER) fluids. Several ER fluids were prepared (1) with the polymer in different type of disperse mediums (bromodiphenylmethane and silicone oil) and (2) with different polymer concentration in each type of the disperse medium. Rheological properties of the fluids were measured. Impact of the strength of the applied electric field, disperse phase concentration and different disperse mediums to the ER properties of the materials were measured and discussed. The results showed that ER properties of the fluids were improved as increase in the disperse phase concentration and as increase in the electric field strength. We also found that ER properties of the fluids depended on the densities of both polymer and disperse medium. Based on the results measured from two disperse mediums, the disperse medium with a closer match in density to the polymer showed better ER properties. Several key physical properties of the polymer were also measured by FTIR, thermogravimetric analysis and scanning electron microscopy. [Copyright &y& Elsevier]

The title compound crystallizes in the triclinic space group with a = 7.194(3), b = 9.790(5), c = 12.492(1) Å, α = 82.407(16), β = 86.664(15), γ = 89.882(15)°. The Mn(II) complex assumes distorted octahedral coordination geometry, formed by diaminobithiazole (DABT), an oxydiacetate dianion (ODA) and a water molecule. The tridentate ODA ion chelates to the Mn(II) atom in a meridional configuration. Each carboxyl group coordinates to the Mn(II) atom as a monodentate. Uncoordinated carboxyl oxygen atoms are involved in a hydrogen-bonding network. DABT chelates to the Mn(II) atom with a coplanar configuration. Coordinated water is hydrogen bonded to carboxyl groups of ODA of a neighboring complex to form supramolecular chains. A π-π stacking interaction involving thiazole rings occurs between adjacent supramolecular chains. A difference of 180 cm -1 between asymmetric and symmetric stretching vibrations of the carboxyl group corresponds to the extensive hydrogen-bonding network involving the carboxyl group. [ABSTRACT FROM AUTHOR]

A series of novel polyimide and poly(Schiff base) oligomers containing substituted bithiazole rings were designed and synthesized, for the first time, by polycondensation of 5,5′-dimethyl-2,2′- diamino-4,4′-bithiazole (MDABT) with dianhydrides (pyromellitic dianhydride, 3,3′-4,4′-benzophenone tetracarboxylic dianhydride and bis (3,4-dicarboxyphenyl) ether dianhydride), and dialdehydes (oxalic aldehyde, isophthalaldehyde and terephthalaldehyde). The structure of the oligomers was determined by IR and 1H NMR spectroscopy, and elemental analysis. The oligomers showed good thermal stability. The Fe2+ complex of poly(Schiff base), synthesized from MDABT with oxalic aldehyde (PMTOA), was prepared with 13.7% Fe content and found to be a ferromagnet at low temperature. [Copyright &y& Elsevier]

The preparation and magnetism of two rare earth polymeric complexes, PDTEN-Nd3+ and PMDTEN-Nd3+, which are obtained by polycondensation of -diamino--bithiazole (DABT) or -dimethyl--diamino--bithiazole (MDABT) with glyoxal and complexation of Nd3+ are described. New magnetic phenomena of temperature dependence and applied external field dependence of magnetization of the two complexes are observed in an applied field of 20 kOe and at . With temperature increasing, magnetization decreases to be negative above transition temperature, at which the magnetic state converts from ferromagnetism to diamagnetism. With applied field increasing, magnetization increases first then declines from maximum over turning point. These do not follow the behaviors expected of conventional ferromagnets. [Copyright &y& Elsevier]

Two polymeric ferro-complexes were first synthesized from FeSO4·7H2O and poly(Schiff base)s. The poly(Schiff base)s were prepared by polycondensation of 5,5′-dimethyl-2,2′-diamino-4,4′-bithiazole (MDABT) with oxalic aldehyde and isophthalaldehyde, respectively. The structures of polymers and complexes were characterized by IR and 1H NMR spectra. The Fe contents of complexes were measured by X-ray spectrometer. The magnetic behavior of the complexes was examined as a function of magnetic field strength at 4 K and as a function of temperature (4–300 K). The results show that PMTOA-Fe2+ is a soft ferromagnet while PMTIA-Fe2+ exhibits features of an antiferromagnet. [Copyright &y& Elsevier]

This paper describes the synthesis of a novel heterocyclic polymer incorporating both bithiazole and tetrathiapentalene moieties in the main chain. The complexion of the polymer with FeSO4 or NdCl3 in dimethyl sulfoxide produced corresponding metal complexes. Based on IR spectra and X-ray photoelectron spectroscopy (XPS) data the structure of these metal complexes is discussed briefly. The magnetic properties of the metallopolymers were measured as a function of magnetic field strength (0–60 kOe) at 5 K and as a function of temperature (5–300 K) under an applied magnetic field of 30 kOe, respectively. The neodymium complex exhibits a hysteresis cycle at 5 K, the observed coercivity Hc and the remnant magnetization Mr are 15 Oe and 0.00035 emu/g, respectively. [Copyright &y& Elsevier]