Allantoin and Natrosulfatourea, Two New Bat-Guano Minerals from the Rowley Mine, Maricopa County, Arizona, USA

ABSTRACT The new minerals allantoin (IMA2020–004a), C4H6N4O3, and natrosulfatourea (IMA2019–134), Na2(SO4)[CO(NH2)2], were found in the Rowley mine, Maricopa County, Arizona, USA, where they occur together in bat guano in association with aphthitalite and urea. Allantoin properties: colorless, transparent, untwinned blades to 0.3 mm; white streak; vitreous luster; brittle; Mohs hardness 1½; conchoidal fracture; good {100} cleavage; 1.72(2) g/cm3 density; biaxial (+) with α = 1.558(2), β = 1.593(2), γ = 1.715(3); 2V = 60(1)°; slight r > v dispersion; optical orientation: Y = b, Z ^ a = 30° in obtuse β. Natrosulfatourea properties: colorless, transparent, untwinned prisms to 0.3 mm; white streak; vitreous luster; brittle; Mohs hardness 1½; irregular fracture; perfect {100} cleavage; 1.97(2) g/cm3 density; biaxial (+) with α = 1.456(2), β = 1.464(5), γ = 1.524(2); 2V = 42(1)°; no dispersion; optical orientation: X = a, Y = c, Z = b. Quantitative chemical analyses could not be obtained for allantoin. Electron microprobe analyses provided the empirical formula Na2.02(S0.98O4)[CO(NH2)2] for natrosulfatourea. Allantoin is monoclinic, P21/c, a = 8.0304(9), b = 5.1596(5), c = 14.8011(18) Å, β = 93.017(7)°, V = 612.41(11) Å3, and Z = 4. Natrosufatourea is orthorhombic, Pbcn, a = 5.5918(4), b = 18.1814(14), c = 6.7179(5) Å, V = 682.98(9) Å3, and Z = 4. The crystal structure of allantoin (R1 = 0.0432 for 1073 I > 2σI) is the same as that reported for the equivalent organic compound. In the structure of natrosulfatourea (R1 = 0.0413 for 785 I > 2σI) NaO6 polyhedra and SO4 tetrahedra form polyhedral layers. The O atom of the CO(NH2)2 (urea) group ligates to two Na atoms and projects into the space between polyhedral layers, linking adjacent layers through hydrogen bonds.

Polyurethane-urea-amide-based triblock copolymer contains functionalized polystyrene: Synthesis, characterization and solvent resistivity study

Synthesized polystyrene (PSt) with a molecular weight of 2100 g/mol, hexamethylene diisocyanate (HMDI), 6-hexylamino benzamide (6B), and N1-(6-aminohexyl)-N4-(6-benzoylaminohexyl)terephthalamide (6T6B) are used to make a copolymer of thermoplastic elastomers. The prepared polymers’ inherent viscosity results (0.4–1.1 dL/g) support the polymer’s high mass. The presence of a monodentate urea group in the polymer chain is confirmed by FT-IR tests. The temperature dependence of FT-IR confirms that the synthesized copolymer has a space length dependent reversible crystallinity. Data from differential scanning calorimetry (DSC) also shows that the hard segment crystallization is strong and reversible in nature. The XRD results show that the polymer is semi-crystalline. The TGA analysis confirmed that the synthesized copolymers are thermally stable up to 290°C. The presence of hydrogen bonds in polymer chains is thermally reversible. The polymer’s solvent resistivity is excellent due to its high crystallinity.

Influence of meso-linker attachment on the formation of core···π interactions in urea-functionalized porphyrins

The ability to cover the face of a porphyrin macrocycle selectively is an attractive feature for concepts such as catalysis and anion binding that is reliant on porphyrin core interactions. Herein, we have synthesized a family of mono-urea functionalized porphyrin complexes with intent to investigate their potential to form core···π interactions selectively to one face of the porphyrin macrocycle. By altering the distance between the urea moiety and the porphyrin through direct linkage or introducing a linker group we can control the formation of the core interactions. This is clearly seen in the crystal structure of 1-phenyl-3-(2-([10,15,20-triphenylporphyrinato]zinc(II)-5-yl)phenyl)urea where a unique face capping effect is demonstrated. In the crystal of this complex, there is a hydrogen-bonding network between the urea group and the axial methanol ligand forming head-to-tail aggregates with the Zn–O axis all molecules pointing in one direction.

The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease

Streptococcus suis is part of the pig commensal microbiome but strains can also be pathogenic, causing pneumonia and meningitis in pigs as well as zoonotic meningitis. According to genomic analysis, S. suis is divided into asymptomatic carriage, respiratory and systemic strains with distinct genomic signatures. Because the strategies to target pathogenic S. suis are limited, new therapeutic approaches are needed. The virulence factor S. suis adhesin P (SadP) recognizes the galabiose Galα1–4Gal-oligosaccharide. Based on its oligosaccharide fine specificity, SadP can be divided into subtypes PN and PO. We show here that subtype PN is distributed in the systemic strains causing meningitis, whereas type PO is found in asymptomatic carriage and respiratory strains. Both types of SadP are shown to predominantly bind to pig lung globotriaosylceramide (Gb3). However, SadP adhesin from systemic subtype PN strains also binds to globotetraosylceramide (Gb4). Mutagenesis studies of the galabiose-binding domain of type PN SadP adhesin showed that the amino acid asparagine 285, which is replaced by an aspartate residue in type PO SadP, was required for binding to Gb4 and, strikingly, was also required for interaction with the glycomimetic inhibitor phenylurea-galabiose. Molecular dynamics simulations provided insight into the role of Asn-285 for Gb4 and phenylurea-galabiose binding, suggesting additional hydrogen bonding to terminal GalNAc of Gb4 and the urea group. Thus, the Asn-285–mediated molecular mechanism of type PN SadP binding to Gb4 could be used to selectively target S. suis in systemic disease without interfering with commensal strains, opening up new avenues for interventional strategies against this pathogen.

The binding mechanism of Streptococcus suis accessory virulence factor and adhesin SadP to globotetraosylceramide

Streptococcus suis is part of the pig commensal microbiome and a major pathogen causing pneumonia and meningitis in pigs and occasionally also zoonotic meningitis. According to genomic analysis, S. suis is divided into asymptomatic carriage, respiratory and systemic strains with distinct genomic signatures. The virulence factor S. suis adhesin P (SadP) recognizes the galabiose Galα1–4Gal-oligosaccharide. Based on its oligosaccharide fine specificity, SadP can be divided into subtypes PN and PO. We show here that subtype PN is distributed in the systemic strains that cause meningitis, whereas type PO is found in asymptomatic carriage and respiratory strains. Both types of SadP are shown to predominantly bind to pig lung globotriaosylceramide (Gb3). However, SadP adhesin from systemic subtype PN strain also binds to globotetraosylceramide (Gb4). Mutagenesis studies of the galabiose-binding domain of type PN SadP adhesin showed that the amino acid asparagine-285, which is replaced by an aspartate residue in type Po SadP, was required for binding to Gb4 and, strikingly, it was also required for interaction with the glycomimetic inhibitor phenylurea-galabiose. Molecular dynamics simulations provided further insight into the role of Asn-285 for Gb4 and phenylurea-galabiose binding, suggesting additional hydrogen bonding to terminal GalNAc of Gb4 and urea-group. Thus, the Asn-285-mediated molecular mechanism of type PN SadP binding to Gb4 could be used as a candidate to selectively target S. suis in invasive systemic disease without interfering with commensal strains, which may open up new venues for developing intervention strategies against this pathogen.

Chamomile Gel versus Urea Cream to Prevent Acute Radiation Dermatitis in Head and Neck Cancer Patients: Results from a Preliminary Clinical Trial

We assessed safety and potential efficacy of a chamomile gel compared with urea cream to prevent acute radiation dermatitis in head and neck cancer patients. We assessed safety and potential efficacy of the chamomile gel in escalating concentrations of 2.50%, 5.00% and 8.35% of chamomile. Concentration of 8.35% was chosen for a randomized trial comparing chamomile gel (8.35%) with urea cream (n = 24 per group), for potential efficacy to delay or prevent radiation dermatitis in these patients. Preliminary results demonstrate a delayed onset of dermatitis, with onset of Grade 2 dermatitis at 5.1 (1.3) weeks in the chamomile group and 4.5 (1.3) weeks in the urea group (effect size of 0.46). Itching, burning and hyperpigmentation were more frequently reported in the urea group. Results indicates a potential efficacy of the chamomile gel. Further studies are needed to confirm the effect of the chamomile gel in reducing or delaying the occurrence of radiation dermatitis.

A High Protein Model Alters the Endometrial Transcriptome of Mares

High blood urea nitrogen (BUN) decreases fertility of several mammals; however, the mechanisms have not been investigated in mares. We developed an experimental model to elevate BUN, with urea and control treatments (7 mares/treatment), in a crossover design. Urea-treatment consisted of a loading dose of urea (0.03 g/kg of body weight (BW)) and urea injections over 6 hours (0.03 g/kg of BW/h). Control mares received the same volume of saline solution. Blood samples were collected to measure BUN. Uterine and vaginal pH were evaluated after the last intravenous infusion, then endometrial biopsies were collected for RNA-sequencing with a HiSeq 4000. Cuffdiff (2.2.1) was used to identify the differentially expressed genes (DEG) between urea and control groups (false discovery rate-adjusted p-value < 0.1). There was a significant increase in BUN and a decrease of uterine pH in the urea group compared to the control group. A total of 193 genes were DEG between the urea and control groups, with five genes identified as upstream regulators (ETV4, EGF, EHF, IRS2, and SGK1). The DEG were predicted to be related to cell pH, ion homeostasis, changes in epithelial tissue, and solute carriers. Changes in gene expression reveal alterations in endometrial function that could be associated with adverse effects on fertility of mares.