4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate

The title compound, C16H20N4O3S·0.25CH4O·0.25H2O, is a hydrate/methanol solvate of torasemide, a diuretic drug used in the treatment of hypertension. The asymmetric unit contains two torasemide mol­ecules and half-occupied methanol and water mol­ecules. It is isomorphous with the previously reported nonsolvated T–II form of torasemide. The water mol­ecules contribute to the stability of the structure by participating in an extensive system of O—H⋯O hydrogen bonds; N—H⋯N and N—H⋯O hydrogen bonds are also present. Both asymmetric mol­ecules of torasemide form inversion dimers in the crystal

4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide T–N): a low temperature redetermination

The structure [Danilovski et al. (2001 ▶). Croat. Chim. Acta 74, 103–120] of the T–N (non-solvated) polymorph of torasemide, C16H20N4O3S, a diuretic drug used in the treatment of hypertension, has been redetermined at low temperature. The zwitterionic form of the mol­ecule is confirmed, although GAUSSIAN03 calculations suggest that this form is less stable in the gas phase. The unit-cell contraction between 298 and 100 K is approximately isotropic and the largest structual change is in a C—N—C—C torsion angle, which differs by 11.4 (3)° between the room-temperature and low-temperature structures. There are two mol­ecules in the asymmetric unit, both of which contain an intra­molecular N—H⋯N hydrogen bond. In the crystal structure, both mol­ecules form inversion dimers linked by pairs of N—H⋯N hydrogen bonds. Further N—H⋯N and N—H⋯O hydrogen bonds lead to a three-dimensional network. The different hydrogen-bond arrangements and packing motifs in the polymorphs of torasemide are discussed in detail

2-(1,2,3,4-Tetra­hydro-1-naphth­yl)imidazolium chloride monohydrate

In the title compound, C13H15N2 +·Cl−·H2O, the ions and water mol­ecules are ­connected by N—H⋯Cl, O—H⋯Cl, NH⋯Cl⋯HO, NH⋯Cl⋯HN and OH⋯Cl⋯HO inter­actions, forming discrete D(2) and D 2 1(3) chains, C 2 1(6) chains and R 4 2(8) rings, leading to a neutral two-dimensional network. The crystal structure is further stabilized by π–π stacking inter­actions [centroid–centroid distance = 3.652 (11) Å]

3-Methyl-1,4-dioxo-1,4-dihydro­naphthalen-2-yl 4-amino­benzoate

The crystal structure of the title compound, C18H13NO4, the oxidized form of the drug aminaftone used in venous disease therapy, is characterized by the presence of ribbons of hydrogen-bonded mol­ecules parallel to the [111] crystallographic direction and by stacking inter­actions between rings [centroid–centroid distance between quinone rings = 3.684 (3) Å and between amino­benzoate rings = 4.157 (3) Å] along the ribbons

4-Amino-N-(3-meth­oxy­pyrazin-2-yl)benzene­sulfonamide

The overall mol­ecular geometry of the title compound, C11H12N4O3S, is bent, with a dihedral angle of 89.24 (5)° between the best planes through the two aromatic rings. Each mol­ecule behaves as a hydrogen-bond donor toward three different mol­ecules, through its amidic and the two aminic H atoms, and it behaves as a hydrogen-bond acceptor from two other mol­ecules via one of its sulfonamidic O atoms. In the crystal, mol­ecules linked by N—H⋯N and N—H⋯O hydrogen bonds form kinked layers parallel to (001), adjacent layers being connected by van der Waals inter­actions

{2-Hydr­oxy-3-[4-(2-methoxy­ethyl)­phen­oxy]prop­yl}isopropyl­ammonium hemisuccinate

Metoprolol, a widely used adrenoreceptor blocking drug, is commonly administered as the succinate or tartrate salt. The structure of metoprolol succinate, C15H26NO3 +·0.5C4H4O4 2−, is characterized by the presence of ribbons in which cations, generated by N-protonation of the metoprolol mol­ecules, are hydrogen bonded to succinate anions. The dicarboxylic acid transfers its H atoms to two metoprolol mol­ecules; the asymmetric unit contains one cation and half an anion, the latter possessing twofold rotational symmetry. There are localized nets of O—H⋯O and N—H⋯O hydrogen bonds along a ribbon, within centrosymmetric arrangements formed by pairs of metoprolol cations and pairs of anions, each of the latter contributing with one of its carboxyl groups to the localized net. This arrangement is repeated along the ribbon by the operation of the twofold axis bis­ecting the anion, as well as by the lattice translation

Diisoprop­yl{2-[2-(2-oxopyrrolidin-1-yl)acetamido]eth­yl}ammonium hydrogen sulfate

The structure of the title compound, C14H28N3O2 +·HSO4 −, a nootropic drug (pramiracetam) investigated for cognition-enhancing properties, is closely similar to that of the previously determined acetonitrile solvate, both structures being characterized by the presence of ribbons of hydrogen-bonded ions. The pyrrolidine ring adopts an envelope conformation

Amyotrophic lateral sclerosis stratification: unveiling patterns with virome, inflammation, and metabolism molecules

Amyotrophic lateral sclerosis (ALS) is an untreatable and clinically heterogeneous condition primarily affecting motor neurons. The ongoing quest for reliable biomarkers that mirror the disease status and progression has led to investigations that extend beyond motor neurons' pathology, encompassing broader systemic factors such as metabolism, immunity, and the microbiome. Our study contributes to this effort by examining the potential role of microbiome-related components, including viral elements, such as torque tenovirus (TTV), and various inflammatory factors, in ALS. In our analysis of serum samples from 100 ALS patients and 34 healthy controls (HC), we evaluated 14 cytokines, TTV DNA load, and 18 free fatty acids (FFA). We found that the evaluated variables are effective in differentiating ALS patients from healthy controls. In addition, our research identifies four unique patient clusters, each characterized by distinct biological profiles. Intriguingly, no correlations were found with site of onset, sex, progression rate, phenotype, or C9ORF72 expansion. A remarkable aspect of our findings is the discovery of a gender-specific relationship between levels of 2-ethylhexanoic acid and patient survival. In addition to contributing to the growing body of evidence suggesting altered peripheral immune responses in ALS, our exploratory research underscores metabolic diversity challenging conventional clinical classifications. If our exploratory findings are validated by further research, they could significantly impact disease understanding and patient care customization. Identifying groups based on biological profiles might aid in clustering patients with varying responses to treatments

Effect of the Nano-Ca(OH)2 addition on the Portland clinker cooking efficiency

A new technology was tested to improve the cooking efficiency of the raw mixture for Portland clinker production by the use of nano-Ca(OH)2. A decrease in the free lime concentration after the firing of approximately 35% and 55% in the nano-added clinkers burned at 1350 °C and 1450 °C, respectively, with respect to the standard Portland clinkers was observed. Moreover, in the nano-added clinkers, a slight decrease in alite (C3S), of approximately 2-4 wt%, and increase in belite (C2S), of approximately 5-6 wt%, were observed. Despite these variations, the C2S and C3S abundance lies within the ranges for standard Portland clinkers. The results showed that the nano-addition leads to an increase of the raw mixtures' cooking efficiency. The relatively low energy required for the clinker firing could be used to increase the plant productivity and decrease the CO2 emissions during clinker burning. The decrease of the work index of the clinkers produced by the use of the nano-Ca(OH)2 also contributes to the energy saving during clinker grinding. Differences were also found in the pore size distribution among nano-added clinkers and the standard Portland clinker. The smallest porosities with the modal volume lying in the class of 3 × 10-6 mm3 were found to increase by the use of nano-Ca(OH)2. However, the pore volumes higher than 2.0 × 10-5 mm3 decreased in the nano-added clinkers. © 2019 by the authors

Long-term voice monitoring with smartphone applications and contact microphone

In recent years, the growing interest in the recognition of voice disorders as occupational diseases has required screening methods adaptable to the clinical requirements, capable to extend the collection of baseline data. In this framework, the use of smartphones has gained increasing interest, thanks to advancements in digital technology, which made them suitable for recording and analyzingacoustic signals. Two smartphone applications, based on the Voice Care® technology, have been developed for long-term monitoring of voice activity when combined with a cheap contact microphone embedded in a collar. The applications have been tested in laboratory and used for the monitoring of teachers at kindergarten, primary school, and university. Vocal Holter App allows the selection of short and long term monitoring mode, and three different clusters of vocal parameters related to intensity, intonation, and load, respectively. Most of the results are based on the distributions of occurrences of vocal parameters. A headlight informs the person under monitoring of pathologic voice. Vocal Holter Rec allows data recording and to perform a personalized analysis based on updated parameters. The equipment allows downloading and saving data on a dedicated web site for further processing, comparisons over time, or sharing with physicians or rehabilitators