In situ growth of luminescent d-f MOF nanostructures on bacterial cellulose as an accessible kit for early jaundice diagnosis.

During the initial week after birth, a majority of newborns experience hyperbilirubinemia and jaundice as a result of the build-up of unconjugated Bilirubin (BR) in their bloodstream. If elevated BR levels are not adequately addressed, it could result in brain damage. Despite advancements in luminescence-based sensing technology for clinical purposes, there remains a significant demand for diagnostic devices with accurate, specific, portable, and affordable features.

In vitro cellular and molecular plus in silico studies of a substituted bipyridine-coordinated Zn(II) ion: cytotoxicity, ROS-induced apoptosis, anti-metastasis, and BAX/BCL2 genes expression.

A new dimethyl-substituted bipyridine-Zn(II) complex (bpy-Zn) was synthesized and structurally characterized. Single-crystalline structure of the complex was elucidated as [Zn(bpy)](ClO)∙1.5(dioxane) by X-ray diffraction, where bpy is 4,4'-dimethyl-2,2'-bipyridine.

Structure and Optical Properties of New 2--Phenylamino-methyl-nitro-pyridine Isomers.

Two new 2--phenylamino-(4 or 6)-methyl-3-nitropyridine derivatives were synthesized. Their structures were characterized on the basis of X-ray diffraction, IR, and Raman spectra as well as electron UV-Vis and emission spectra measurements. The experimental results were analyzed in terms of theoretical data in which the quantum chemical DFT and NBO calculations were applied.

Chemical modification of monensin as a source of potent antiplasmodial agents.

Malaria remains a significant public health issue and one of the leading causes of child mortality worldwide. Due to the growing problem of drug resistance, new modes of fighting the disease are searched for. In this context, ionophore antibiotics, natural compounds with high potential for combating parasitic diseases, deserve special attention.

Synthesis and Structural Analysis of New (-)-Cytisine Squaramides.

Derivatives of squaric acid are valuable building blocks with promising applications in the investigation of various bioactivities. In this study, we focus on squaramides functionalized with the (-)-cytisine moiety, an alkaloid known for its bioactivity as a nicotinic acetylcholine receptor agonist and its application in nicotine addiction treatment. Reactions of cytisine-monosquarate with several amines, such as ammonia, propargylamine, and morpholine, led to the formation of novel conjugates of cytisine-squaramides.

Paramagnetic Cage-Type Co(II) Complexes of Chiral Macrocycles: Enantio- and Size-Selective Binding of Guest Molecules.

Two enantiomers of the cage-type complex, and of a large hexaazatriphenolic [3 + 3] macrocyclic imine , have been synthesized and characterized on the basis of NMR, CD, and ESI MS spectra. The X-ray crystal structures of crystalline forms reveal two macrocycles of cone shape stitched together by three Co(II) ions, forming a barrel-shaped molecule with a central void. Because of the limited size of the cavity and the enantiopure nature of these enantiomeric complexes, both size-selective and enantioselective binding of guest molecules are observed.

Controlled bottom-up synthesis and characterization of crystalline and amorphous lead(II) coordination polymers: Sonochemical methods, structure-property relationship, and photocatalytic applications.

The 3D coordination polymers of lead (II) [Pb(O)(L)(HO)]n, where HL = CH(COH) (benzene-1,3-dicarboxylic acid), were synthesized in crystalline (1(a, b)) and amorphous (2(a, b)) phases. Hydrothermal and branch tube methods were used to self-assemble lead (II) from the bottom up to create the crystalline phases. Single-crystal X-ray diffraction (SC-XRD) was used to investigate two crystallized metal-organic frameworks (MOFs) with the same space group and chemical formula (P21/c).

From Pseudocyclic to Macrocyclic Ionophores: Strategies toward the Synthesis of Cyclic Monensin Derivatives.

There has been a long search for a simple preparation of new cyclic analogues of ionophore antibiotics. We report a simple and general synthesis of three new cyclic derivatives of polyether ionophore, monensin A (MON). The application of the Huisgen 1,3-dipolar cycloaddition of azides and terminal alkynes to macrocyclization results in a concise, synthetic route to monensin lacton or lactam in only 4 steps.

Synthesis, X-ray studies and antiproliferative activity of novel lasalocid amides.

Seeking new drug candidates among compounds of natural origin is an effective and widely used method of fighting various diseases, especially cancer. Lasalocid acid is one of the naturally occurring polyether ionophore antibiotics, which also exhibits interesting anticancer activity. Therefore, to expand the knowledge about the anticancer properties of lasalocid derivatives, a series of its new amides were synthesized and their antiproliferative activity against cancer cell lines was studied.

In vitro and in silico studies of a Zn(II) complex as a potential therapeutic agent for breast cancer.

Breast cancer (BC) is one of the most life-threatening diseases of women's health worldwide. This work was conducted to assess the anti-BC potency of a new Zn(II)-based complex. The Zn(II) complex coordinated to dimethoxy-substituted bipyridine was synthesized and its molecular structure was elucidated as [Zn(bpy)](clo) (bpy-Zn) by single-crystal X-ray diffraction, bpy represents 4,4'-dimethoxy-2,2'-bipyridine.

Post-Synthetic Modification of a 1D Mixed-Linker Zn(II) Coordination Polymer for Acid-Catalyzed Alcoholysis of Epoxides.

Rational design of heterogeneous acid catalysts possessing uniform dispersion of active sites plays a significant role in the catalytic performance. In the present work, a coordination polymer, [Zn(4,4'-bpy)(μ-Hbtc)(HO)] ⋅ 2HO (Zn-CP), was solvothermally synthesized using 4,4'-bpy (=4,4'-bipyridine) and Hbtc (=1,3,5-benzenetricarboxylic acid) mixed linkers. Single crystal X-ray analysis of the polymer displayed that Zn-CP chains were decorated with 4,4'-bpy having unidentate coordination fashion.

Unique Use of Dibromo-L-Tyrosine Ligand in Building of Cu(II) Coordination Polymer-Experimental and Theoretical Investigations.

Although the crystals of coordination polymer {[CuCl(O,O'-L-BrTyr)]}n (1) (L-BrTyr = 3,5-dibromo-L-tyrosine) were formed under basic conditions, crystallographic studies revealed that the OH group of the ligand remained protonated. Two adjacent [CuCl(L-BrTyr)] monomers, bridged by the carboxylate group of the ligand in the bidentate bridging mode, are differently oriented to form a polymeric chain; this specific bridging was detected also by FT-IR and EPR spectroscopy. Each Cu(II) ion in polymeric compound 1 is coordinated in the xy plane by the amino nitrogen and carboxyl oxygen of the parent ligand and the oxygen of the carboxyl group from the symmetry related ligand of the adjacent [Cu(L-BrTyr)Cl] monomer, as well as an independent chlorine ion.

Ultrasound-assisted synthesis of a Eu-functionalized Zn coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of Hg and L-Cys.

A new Zn coordination polymer (CP) based on 2,3-pyrazine dicarboxylic acid (Hpzdc) and 4,4'-bipyridine (bpy) (ZCP) was synthesized using a facile slow evaporation method. Single-crystal X-ray diffraction revealed that ZCP is a two-dimensional porous CP, [Zn(pzdc)(bpy)(HO)], with van der Waals forces as the dominant interaction within its layers forming a 6 network. Employing energetic ultrasound irradiation, nanoscale ZCP (nZCP) was successfully synthesized and Eu ions were incorporated within its host lattice (Eu@nZCP).

Novel Combretastatin A-4 Analogs-Design, Synthesis, and Antiproliferative and Anti-Tubulin Activity.

Combretastatins isolated from the tree belong to a group of closely related stilbenes. They are colchicine binding site inhibitors which disrupt the polymerization process of microtubules in tubulins, causing mitotic arrest. In vitro and in vivo studies have proven that some combretastatins exhibit antitumor properties, and among them, combretastatin A-4 is the most active mitotic inhibitor.

Bacterial Cellulose-Based MOF Hybrid as a Sensitive Switch Off-On Luminescent Sensor for the Selective Recognition of l-Histidine.

In this study, a stable and luminescent UiO-66-NH () and its derivative Cu@ were prepared and utilized successfully as an Off-On luminescent sensing platform for effective, selective, as well as rapid (5 min) detection of l-Histidine (l-His). The reveals efficient quenching in the presence of Cu ions through photoinduced electron transition (PET) mechanism as a dynamic quenching process (in the range of 0.01-1 mM) forming Cu@ sensing platform.

Synthesis and characterization of a new copper-based polyoxomolybdate and its catalytic activity for azide-alkyne cycloaddition reaction under UV light irradiation.

A new organic-functionalized Cu-based Anderson-type polyoxomolybdate, namely (CHN)[Na(HO)][CHCuMoNO]·2(HO) (Cu-POM), was synthesized via a simple one-pot reaction and subsequently characterized using a range of analytical and spectral techniques. Structural investigation by single crystal X-ray diffraction analysis revealed that the polyanion component of the synthesized compound (i.e.

Structural, spectroscopic properties ant prospective application of a new nitropyridine amino N-oxide derivative: 2-[(4-nitropyridine-3-yl)amino]ethan-1-ol N-oxide.

A new nitropyridine amino N-oxide derivative 2-[(4-nitropyridine-3-yl)amino]ethan-1-ol N-oxide was synthesized and its structural and optical properties were described. Its structure obtained from the X-ray diffraction (XRD) studies was related to the Infrared spectroscopy (IR), Raman spectroscopy (RS), electron Ultraviolet-Visible spectroscopy (UV-VIS) and emission spectra measurements. The experimental results were analyzed in terms of theoretical data obtained from quantum chemical Density Functional Theory (DFT) and Natural Bond Orbital (NBO) calculations.

A new binuclear Ni(II) complex, an effective A-coupling catalyst in solvent-free condition.

A newly binuclear nickel(II) complex, [Ni(en)(ox)](ClO) () (where en = ethylenediamine, and ox = oxalate), has been isolated from a reaction of NiCl·6HO, ethylenediamine, ammonium oxalate and sodium perchlorate in water and its crystal structure has been determined by X-ray crystallography and infra-red techniques. Compound was successfully employed to promote the one-pot reaction of aldehydes, amines and acetylenes for the construction of corresponding propargylamines under solvent-free media with fine yields. Further studies reveal this catalytic system can be refreshed and used again in five runs.

Spectroscopic and optical properties of 1,2,4-triazolo[4,3-a]pyridin-3(2H)-one as a component of herbicides.

The herbicides azafenidin [(2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one)] and flumetsulam [(N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide)] were subjected to IR, Raman, UV-Vis and emission studies. As triazolopyridine is the most prominent and active component of these herbicides, this molecule was characterised by XRD studies, FTIR, Raman, UV-Vis and emission spectra. The experimental data were compared to the results of the DFT quantum chemical calculations carried out for its optimised structure, IR intensities and Raman activities, HOMO-LUMO transitions, and energies of the singlet and triplet states.

Efficient modulation of a barium metal-organic framework using amino acids.

In recent years, significant advances have been made in the precise control of the physical properties of metal-organic frameworks (MOFs) via the linker-modulated method in which modulators compete with linkers and impose kinetic limitations through crystal growth. In this regard, the structure of a new barium-organic framework [Ba(HBTC)(HO)], BaBTC (BTC = 1,3,5-benzene tricarboxylic acid) is introduced, which allows the competitive coordination strategy and growth orientation of an alkaline-earth metal-organic framework (AEMOF) to be probed without sacrificing phase purity, porosity and crystallinity. The modulator effect of an assortment of amino acids on the particle size and morphology of BaBTC is investigated.

Synthesis, Structure, and UV-Vis Characterization of Antimony(III) Phthalocyanine: [(SbPc)(SbI)(SbBr)].

A new antimony(III)-phthalocyanine complex with the formula of [(SbPc)(SbI)(SbBr)] has been obtained in the reaction of pure antimony powder with phthalonitrile under the oxidation conditions by iodine monobromide vapors. The complex crystallizes in the centrosymmetric space group of the triclinic system. Both independent (SbPc) units exhibit non-planar conformation, since the Sb(III) is larger than the equilibrium cavity size of the ring and cannot be accommodated without its expansion; thus, the metal protrudes out of the cavity, forming a saucer shape.

The Structural and Optical Properties of 1,2,4-Triazolo[4,3-]pyridine-3-amine.

The structural and spectroscopic properties of a new triazolopyridine derivative (1,2,4-triazolo[4,3-]pyridin-3-amine) are described in this paper. Its FTIR spectrum was recorded in the 100-4000 cm range and its FT-Raman spectrum in the range 80-4000 cm. The molecular structure and vibrational spectra were analyzed using the B3LYP/6-311G(2d,2p) approach and the GAUSSIAN 16W program.

Directing Crystallization Outcomes of Conformationally Flexible Molecules: Polymorphs, Solvates, and Desolvation Pathways of Fluconazole.

Control over polymorphism and solvatomorphism in API assisted by structural information, e.g., molecular conformation or associations via hydrogen bonds, is crucial for the industrial development of new drugs, as the crystallization products differ in solubility, dissolution profile, compressibility, or melting temperature.