Self-reported longitudinal COVID-19 vaccination reactogenicity profiles in persons with multiple sclerosis.

Background: Preventing severe COVID-19 associated outcomes continues to be a priority for persons with multiple sclerosis (PwMS). We previously reported in an interim analysis that short-term reactions to the first and second SARS-CoV-2 vaccines experienced by PwMS were mostly self-limiting and similar to reactions experienced by the general population.

Objectives: First, to report short-term reactogenicity experienced by PwMS in relation to the first through fourth SARS-CoV-2 vaccines.

A Phase 1b, Open-Label Study to Evaluate the Safety and Tolerability of the Putative Remyelinating Agent, Liothyronine, in Individuals with MS.

Thyroid hormones are essential during developmental myelination and may play a direct role in remyelination and repair in the adult central nervous system by promoting the differentiation of oligodendrocyte precursor cells into mature oligodendrocytes. Since tri-iodothyronine (T3) is believed to mediate the majority of important thyroid hormone actions, liothyronine (synthetic T3) has the potential to induce reparative mechanisms and limit neurodegeneration in multiple sclerosis (MS). We completed a phase 1b clinical trial to determine the safety and tolerability of ascending doses of liothyronine in individuals with relapsing and progressive MS.

COVID-19 Vaccination Reactogenicity in Persons With Multiple Sclerosis.

Background And Objectives: There are limited data on severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) vaccine reactogenicity in persons with multiple sclerosis (PwMS) and how reactogenicity is affected by disease-modifying therapies (DMTs). The objective of this retrospective cross-sectional study was to generate real-world multiple sclerosis-specific vaccine safety information, particularly in the context of specific DMTs, and provide information to mitigate specific concerns in vaccine hesitant PwMS.

Methods: Between 3/2021 and 6/2021, participants in iConquerMS, an online people-powered research network, reported SARS-CoV-2 vaccines, experiences of local (itch, pain, redness, swelling, or warmth at injection site) and systemic (fever, chills, fatigue, headache, joint pain, malaise, muscle ache, nausea, allergic, and other) reactions within 24 hours (none, mild, moderate, and severe), DMT use, and other attributes.

Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex.

Herein we report the synthesis and X-ray characterization of a gold(iii) complex of 1-hexylcytosine via N(3). The AuClN complexes stack on top of each other by reciprocal [AuCl] regium bonding interactions. After the first example 35 years ago, this is the second available structure of a cytosine nucleobase model complexed to gold(iii).

Synthesis, reactivity, X-ray characterization and docking studies of N/N-(2-pyrimidyl)-adenine derivatives.

The reaction of adenine with 2-chloropyrimidine yields as a major product the unexpected N-(2-pyrimidyl)-adenine (1) and as a minor one N-(2-pyrimidyl)-adenine (2). Both compounds have been characterized by X-ray diffraction analysis. Moreover, we report the formation of a 1:1 co-crystal (3) composed by compound (1) and adenine that was formed serendipitously during the synthesis of (1).

Leptomeningeal Enhancement at 7T in Multiple Sclerosis: Frequency, Morphology, and Relationship to Cortical Volume.

Background And Purpose: Perform an investigation of the frequency and distribution of leptomeningeal enhancement on postgadolinium magnetization-prepared FLAIR (MPFLAIR) in multiple sclerosis (MS) on 7 Tesla (7T) MRI and to relate this finding to measures of brain structure and lesion volumes.

Methods: Twenty-nine participants with MS underwent 7T MRI of the brain. Three healthy volunteers (HVs) were scanned for comparison.

X-ray Crystal Structure of a Metalled Double-Helix Generated by Infinite and Consecutive C*-Ag -C* (C*:N -Hexylcytosine) Base Pairs through Argentophilic and Hydrogen Bond Interactions.

The synthesis of a metalled double-helix containing exclusively silver-mediated C*-C* base pairs is reported herein (C*=N hexylcytosine). Remarkably, it is the first crystal structure containing infinite and consecutive C*-Ag -C* base pairs that form a double helix. The Ag ion occupies the center between two C* residues with N(3)-Ag bond lengths of 2.

Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.

New chlorido-dimethylsulfoxide-iridium(III), ruthenium(III) and rhodium(III) complexes with the 2-(1H-pyrazol-1-yl)-pyrimidine (pyrapyr) ligand (OC-6-N1)-[Rh(III)Cl3(DMSO-κS)(pyrapyr)] (1a, N = 3 and 1b, N = 4); (OC-6-N1)-[Ru(III)Cl3(DMSO-κS)(pyrapyr)] (2a, N = 3 and 2b, N = 4) and (OC-6-N1)-[Ir(III)Cl3(DMSO-κS)(pyrapyr)] (3a, N = 3 and 3b, N = 4) have been synthesized and characterized by spectroscopic techniques and by single crystal X-ray diffraction studies (1a, 1b, 2a, 2b, a disordered crystal 3a/3b and a cocrystal 3a·3b). In all cases, the metal centers show octahedral geometry coordinated to three chloride ligands and one S coordinated dimethylsulfoxide (DMSO-κS). The coordination sphere of the metal is completed by the pyrapyr molecule.

Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands.

Two self-assembled hosts are formed from Ag(I) salts and bis-pyrimidyl ligands and X-ray characterized. Both are able to incorporate two anions into the structure combining hydrogen bonding and electrostatic interactions.

Synthesis, X-ray characterization and computational studies of Cu(II) complexes of N-pyrazolyl pyrimidine.

In this manuscript we report the synthesis and X-ray characterization of several complexes of Cu(II) with a 2-(1H-pyrazol-1-yl)-pyrimidine (L) ligand. Complexes CuLCl(2) (1), [CuL(2)(H(2)O)(2)](NO(3))(2) (2) and [CuL(2)H(2)O](NO(3))(2) (3) are mononuclear systems and [CuL(NO(3))(2)](n) (4) is polymeric. In the solid state, complexes 2 and 3 are characterized by the presence of anion-π interactions that are relevant for the final 3D architecture and packing.

Cytokinin activity of disubstituted aminopurines in Amaranthus.

Cytokinin (CK) receptors have different affinities for certain ligands, and consequently, studies of the plant's response to CK analogues constitute a good approach to identify active compounds that trigger specific plant responses. In this study, N(6) and N(6),N(6)-substituted CK analogues were synthesized and their CK-like activity was examined in the Amaranthus betacyanin and the bacterial receptor assay. The compounds showed CK-like activities that were not always associated with their binding affinity to the Arabidopsis receptors AHK3 and CRE1/AHK4.

Anion-pi interactions in bisadenine derivatives: a combined crystallographic and theoretical study.

In this manuscript we report a high-level ab initio study of anion-pi interactions involving N9-methyl-adenine, N6-methyl-adenine, N9-methyl-hypoxanthine, a dimer of N9-methyl-adenine, and N9,N9'-trimethylene-bisadenine. DNA bases like adenine are electron-deficient arenes that are well suited for interacting favorably with anions. We demonstrate that these compounds are able to interact favorably with anions.

Extreme sensitivity of differential momentum transfer cross sections to target atom initial conditions.

Heavy-particle cross sections differential in the momentum transferred to the target are investigated using the classical trajectory Monte Carlo method. With the 3.6 MeV/mu Au(53+) + He system as a test case, it is shown that these cross sections are extremely sensitive to the initial target temperature.

Ag(I) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study.

Alkylidene-bis(2-aminopyrimidines) (pyr2Cx, x = 2-5) are useful ligands to interact with Ag(I) yielding discrete metallocycles. Crystal structures of the [(pyr2C2)Ag(NO3)]2 and [(H-pyr2C4)Ag(NO3)2]2 have been isolated where each macrocyclic moiety interacts with their surroundings through weak interactions, yielding 3D discrete structures, On the other hand, the solution study shows that the equilibrium constants for the formation of Ag(pyr2Cx)+ complexes are higher than the literature values for Ag(I) complexes with single pyrimidines, although the differences could be explained by invoking the solid-state structures of the Ag(I)-pyr2Cx complexes.

Effect of metal complexes of acyclovir and its acetylated derivative on Herpes simplex virus 1 and Herpes simplex virus 2 replication.

The effect of zinc, nickel, cobalt and cadmium complexes of acyclovir (ACV) and its omicron-acetylated derivative (Ac-ACV) on the replication of wild type (wt) and ACV-resistant (ACV(R)) strains of Herpes simplex virus 1 (HSV-1) and Herpes simplex virus 2 (HSV-2) was examined. According to cytotoxicity, these compounds followed the order Ni-ACV chloride > Cd-ACV 3 Ni-ACV nitrate > ACV = Zn-ACV nitrate = Ac-ACV = Zn-Ac-ACV > Zn-ACV chloride > Co-ACV. Besides Ac-ACV, the only active complexes in inhibiting virus replication were Zn-ACV nitrate and Zn-Ac-ACV, which effectively suppressed the growth of both wt and ACVR strains of HSV-1 and HSV-2.

[P-24 antigenemia: correlation with some clinical and epidemiological aspects in 100 HIV-infected Cuban subjects].

A non-probabilistic selection of 100 Cuban patients at different stages of HIV infection, according to the revised classification of the Centers for Disease Control and Prevention of 1987, was made from a set of 130 persons with serologically-confirmed HIV infection. Clinical and epidemiological information about each case was collected and peripheral blood samples were taken to detect HIV-1 p24 antigen. The frequency of p24 antigenemia detection and concentration were correlated with available clinical and epidemiological data.

Ternary complexes metal [Co(II), Ni(II), Cu(II) and Zn(II)]--ortho-iodohippurate (I-hip)--acyclovir. X-ray characterization of isostructural [(Co, Ni or Zn)(I-hip)(2)(ACV)(H(2)O)(3)] with stacking as a recognition factor.

Four ternary metal--ortho-iodohippurate (I-hip)--acyclovir (ACV) complexes, [M(I-hip)(2)(ACV)(H(2)O)(3)] where M is Co(II) (1), Ni(II) (2), Cu (3) and Zn(II) have been obtained by reaction between the corresponding binary complexes M(II)(I-hip)(2)xnH(2)O and ACV. Three ternary complexes (M=Co, Ni and Zn) and the corresponding Zn(II)--ortho-iodohippurate binary derivative have been structurally characterized by X-ray diffraction: The studies show these three ternary complexes are isostructural and present, in solid state, an interesting stacking between the nucleobase and the aryl ring of the hippurate moiety, which probably promotes the formation of ternary complexes. Moreover, the two different ligands interact between them by means of ancillary hydrogen bonds with water molecules coordinated to the metal ion.

Early osteocyte response to bone resorption stimuli.

Over the last decade, increasing attention has been focused on the role of the osteocyte in bone remodeling, in view of its demonstrated ability to respond to mechanical and electric stimuli applied to bone. A previous "in vivo" study performed at our laboratory demonstrated that the application of orthodontic forces results in osteocytic lacunae enlargement. To our knowledge there are no data on cell and lacunae response to an inflammatory stimulus in the literature.

Uracilato and 5-halouracilato complexes of Cu(II), Zn(II) and Ni(II). X-ray structures of [Cu(uracilato-N(1))(2)(NH(3))(2)].2(H(2)O), [Cu(5-chlorouracilato-N(1))(2)(NH(3))(2)](H(2)O)(2), [Ni(5-chlorouracilato-N(1))(2)(en)(2)].2H(2)O and [Zn(5-chlorouracilato-N(1))(NH(3))(3)].(5-chlorouracilato-N(1)).(H(2)O).

Four new complexes of uracilato and 5-halouracilato with the divalent metal ions Cu(II), Zn(II) and Ni(II) were obtained and structurally characterized. [Cu(uracilato- N(1))(2)(NH(3))(2)].2(H(2)O) (1) and [Cu(5-chlorouracilato-N(1))(2)(NH(3))(2)](H(2)O)(2) (2) complexes present distorted square planar co-ordination geometry around the metal ion.

Synthesis, structure and nuclease properties of several ternary copper(II) peptide complexes with 1,10-phenanthroline.

Three new ternary peptide-Cu(II)-1,10-phenanthroline (phen) complexes, [Cu(L-ala-gly)(phen)].3.5H(2)O 1, [Cu(L-val-gly)(phen)] 2 and [Cu(gly-L-trp)(phen)].

Synthesis, equilibrium studies and structural characterisation of the Zn(II) complexes with trimethylene-N6,N6'-bisadenine.

The new compound trimethylene-N(6),N(6')-bisadenine (L), in which two adenine molecules are linked together by a trimethylene bridge that connects the N(6) atoms, has been prepared. Reaction of L with HgCl(2) and ZnCl(2) in concentrated HCl solution leads to crystalline solids. The X-ray characterisation of the Hg(II) complex (H(2)L)[HgCl(4)].

Proto-metastatic core and comet effect: new theoretical model of the mechanism of metastasis generation.

One important aspect of cancer is its capacity to generate metastasis. The mechanism by which one or several neoplastic cells escape from the primitive tumor to start the metastatic process is still a matter of discussion, hence the need to reconsider under which circumstances and conditions 'lethal escape' is produced. Thus we introduce two concepts: proto-metastatic core and comet effect.

Complexation of Nickel(II) with Guanosine 5'-Monophosphate and Inosine 5'-Monophosphate: A Potentiometric and Calorimetric Study.

The constants (K(s)) and enthalpies (DeltaH(s)) for stacking interactions between purine nucleoside monophosphates were determined by calorimetry; the values thus obtained were guanosine as follows: K(s) = 2.1 +/- 0.3 M(-)(1) and DeltaH(s) = -41.

Metallation of Isatin (2,3-Indolinedione). X-Ray Structure and Solution Behavior of Bis(Isatinato)Mercury(II).

The first X-ray structure of an isatin (2,3-indolinedione, isaH) metal complex, bis(isatinato)memury(II) (C(16)H(8)N(2)O(4)Hg) (1), was determined. (1) was obtained from the reaction of isaH with mercury(II) acetate in methanol. Analogously, treatment of sodium saccharinate and mercury(II) acetate in methanol yielded Hg(saccharinato)(2) (*)0.