Synthesis and structure characterization of two cadmium coordination polymers based on μ2-bridging bidentate hydrazine ligand

Synthesis, single crystal structures, spectral and thermal characteristics of two cadmium coordination polymers, viz., [Cd(NO3)2(N2H4)2] (1) [Cd(C3H2O4)(N2H4)] (where C3H2O4 is malonate) (2) are reported. The μ2-bridging bidentate binding mode of the crystallographically unique hydrazine ligands in (1) leads to a one-dimensional polymeric structure extending along c axis. The central Cd(II) in (2) exhibits hepta-coordination and is bonded to a unique malonate anion which exhibits a μ3-bridging pentadentate coordination, extending the structure along the a axis. The bridging bidentate binding of the crystallographically independent hydrazine ligand extends along b axis resulting in a 2-D structure

Cross-Sample Validation Provides Enhanced Proteome Coverage in Rat Vocal Fold Mucosa

The vocal fold mucosa is a biomechanically unique tissue comprised of a densely cellular epithelium, superficial to an extracellular matrix (ECM)-rich lamina propria. Such ECM-rich tissues are challenging to analyze using proteomic assays, primarily due to extensive crosslinking and glycosylation of the majority of high Mr ECM proteins. In this study, we implemented an LC-MS/MS-based strategy to characterize the rat vocal fold mucosa proteome. Our sample preparation protocol successfully solubilized both proteins and certain high Mr glycoconjugates and resulted in the identification of hundreds of mucosal proteins. A straightforward approach to the treatment of protein identifications attributed to single peptide hits allowed the retention of potentially important low abundance identifications (validated by a cross-sample match and de novo interpretation of relevant spectra) while still eliminating potentially spurious identifications (global single peptide hits with no cross-sample match). The resulting vocal fold mucosa proteome was characterized by a wide range of cellular and extracellular proteins spanning 12 functional categories

A potential new, stable state of the E-cadherin strand-swapped dimer in solution

E-cadherin is a transmembrane glycoprotein that facilitates inter-cellular adhesion in the epithelium. The ectodomain of the native structure is comprised of five repeated immunoglobulin-like domains. All E-cadherin crystal structures show the protein in one of three alternative conformations: a monomer, a strand-swapped trans homodimer and the so-called X-dimer, which is proposed to be a kinetic intermediate to forming the strand-swapped trans homodimer. However, previous studies have indicated that even once the trans strand-swapped dimer is formed, the complex is highly dynamic and the E-cadherin monomers may reorient relative to each other. Here, molecular dynamics simulations have been used to investigate the stability and conformational flexibility of the human E-cadherin trans strand-swapped dimer. In four independent, 100 ns simulations, the dimer moved away from the starting structure and converged to a previously unreported structure, which we call the Y-dimer. The Y-dimer was present for over 90% of the combined simulation time, suggesting that it represents a stable conformation of the E-cadherin dimer in solution. The Y-dimer conformation is stabilised by interactions present in both the trans strand-swapped dimer and X-dimer crystal structures, as well as additional interactions not found in any E-cadherin dimer crystal structures. The Y-dimer represents a previously unreported, stable conformation of the human E-cadherin trans strand-swapped dimer and suggests that the available crystal structures do not fully capture the conformations that the human E-cadherin trans homodimer adopts in solution

Internet of Things in Sustainable Energy Systems

Our planet has abundant renewable and conventional energy resources but technological capability and capacity gaps coupled with water-energy needs limit the benefits of these resources to citizens. Through IoT technology solutions and state-of-the-art IoT sensing and communications approaches, the sustainable energy-related research and innovation can bring a revolution in this area. Moreover, by the leveraging current infrastructure, including renewable energy technologies, microgrids, and power-to-gas (P2G) hydrogen systems, the Internet of Things in sustainable energy systems can address challenges in energy security to the community, with a minimal trade-off to environment and culture. In this chapter, the IoT in sustainable energy systems approaches, methodologies, scenarios, and tools is presented with a detailed discussion of different sensing and communications techniques. This IoT approach in energy systems is envisioned to enhance the bidirectional interchange of network services in grid by using Internet of Things in grid that will result in enhanced system resilience, reliable data flow, and connectivity optimization. Moreover, the sustainable energy IoT research challenges and innovation opportunities are also discussed to address the complex energy needs of our community and promote a strong energy sector economy

Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS

Mutations in the gene encoding Cu-Zn superoxide dismutase 1 (SOD1) cause a subset of familial amyotrophic lateral sclerosis (fALS) cases. A shared effect of these mutations is that SOD1, which is normally a stable dimer, dissociates into toxic monomers that seed toxic aggregates. Considerable research effort has been devoted to developing compounds that stabilize the dimer of fALS SOD1 variants, but unfortunately, this has not yet resulted in a treatment. We hypothesized that cyclic thiosulfinate cross-linkers, which selectively target a rare, 2 cysteine-containing motif, can stabilize fALS-causing SOD1 variants in vivo. We created a library of chemically diverse cyclic thiosulfinates and determined structure-cross-linking-activity relationships. A pre-lead compound, “S-XL6,” was selected based upon its cross-linking rate and drug-like properties. Co-crystallographic structure clearly establishes the binding of S-XL6 at Cys 111 bridging the monomers and stabilizing the SOD1 dimer. Biophysical studies reveal that the degree of stabilization afforded by S-XL6 (up to 24°C) is unprecedented for fALS, and to our knowledge, for any protein target of any kinetic stabilizer. Gene silencing and protein degrading therapeutic approaches require careful dose titration to balance the benefit of diminished fALS SOD1 expression with the toxic loss-of-enzymatic function. We show that S-XL6 does not share this liability because it rescues the activity of fALS SOD1 variants. No pharmacological agent has been proven to bind to SOD1 in vivo. Here, using a fALS mouse model, we demonstrate oral bioavailability; rapid engagement of SOD1G93A by S-XL6 that increases SOD1G93A’s in vivo half-life; and that S-XL6 crosses the blood–brain barrier. S-XL6 demonstrated a degree of selectivity by avoiding off-target binding to plasma proteins. Taken together, our results indicate that cyclic thiosulfinate-mediated SOD1 stabilization should receive further attention as a potential therapeutic approach for fALS

Microwave assisted synthesis and characterization of mixed metal hydrazinecarboxylates, metal cobaltites and metal ferrites

1806-1811Metal cobaltites and ferrites have been prepared by the combustion of an aqueous mixture of metal nitrates and hydrazinium hydrazinecarboxylate in a microwave oven. The concentrated solution formed just before decomposition to the respective cobaltites or ferrites is removed and allowed to crystallize at room temperature. Composition of the complexes obtained from the above concentrated solutions has been found to be M1/3Co2/3(N2H3COO)2 or M1/3Fe2/3 (N2H3COO)2 where M= Mg, Mn, Fe, Co, Ni or Zn. The solid products obtained by the decomposition of the combustion mixture and the complexes isolated from the concentrated solutions have been characterized by chemical analyses, infrared spectra and X-ray powder diffraction studies. Thermal degradation of the complexes has also been recorded and the final residues have been found to be the respective metal cobaltites or metal ferrites

New nine coordinated hydrated heavier lanthanide ethylenediaminetetraacetates containing hydrazinium cation: Crystal structure of N₂H₅[Dy(EDTA)(H₂O) ₃](H₂O)₅

25-31Some new nine coordinated hydrazinium lanthanide ethylenediaminetetraacetate hydrates N₂H₅[Ln(EDTA)(H₂O) ₃](H₂O)₅ where Ln: Eu, Gd, Tb or Dy, have been prepared in aqueous media and characterized by chemical and elemental analyses, conductance, magnetic and spectral studies. The X-ray powder diffraction spectra of the complexes exhibit isomorphism in the series. The dysprosium complex has been prepared as a single crystal suitable for X-ray single crystal study and its analysis shows that the metal ion is nine coordinated with hexadentate tetravalent EDTA₄⁻ while three more coordination sites are occupied by water molecules. The simultaneous TG-DTA profiles of the complexes show multi step degradation involving dehydration, ligand pyrolysis and formation of respective metal oxides as end residues. The first stage of degradation provides clear evidence for the removal of five non-coordinated water molecules. The final residues have been identified and confirmed by TG-weight loss and X-ray powder diffraction technique

New hydrazinium complexes of lanthanide (III) with ethylenediaminetetraacetate: Spectral, thermal and XRD studies

864-871Diammonium and dihydrazinium salts of ethylenediaminetetraacetate  acid have been prepared by neutralization reaction between ammonia or hydrazine hydrate and H4 EDTA in 2:1 ratio. Ammonium hydrazinium salt has also been prepared using a mixture of the two bases and the salts have been characterized by chemical analyses, elemental analyses, infrared spectra and thermal studies. Dihydrazinium salt, (N2H5)2 H2EDTA has been used as a ligand to prepare hydrazinium lanthanum EDTA hydrates. N2 H5[Ln(EDTA)(H2O)3] (H2O)5 (where Ln= La, Ce, Pr, Nd, Sm). These complexes have been characterized by chemical and elemental analyses, conductivity and magnetic moment measurements and electronic and infrared spectral studies. TG and DTA traces indicate that these complexes undergo multi-step degradation to yield respective oxides and Ln2O3 as the final residue. The metal analyses, infrared spectra and X-ray powder techniques have been used to confirm the end product