Resident pharmacist participation in shared medical appointments in palliative care in São Paulo, Brazil: experience and contributions.

OBJECTIVE: To describe the resident pharmacist's participation in Shared Medical Appointments (SMA) in palliative care. METHODS: The resident pharmacist participated in face-to-face SMA with the attending physician, medical and gerontology students, and a nurse. KEY FINDINGS: The resident pharmacist supported interdisciplinary discussions and performed pharmaceutical interventions. He helped raise awareness about the effective, safe, and convenient use of medicines, helping improve the quality of life of patients and caregivers. CONCLUSIONS: Providing pharmaceutical care to patients in palliative care helped to improve the quality of clinical services offered to these patients, as well as adding value to resident pharmacists' interprofessional practice.

A política nacional de práticas integrativas e complementares na grande Vitória: uma análise sobre os caminhos e proposições das PIC como proposta de tratamento de saúde do Sistema Único de Saúde (SUS) / The national policy for integrative and complementary practices in the metropolitan region of Vitória/ES: an analysis of the paths and propositions for PIC as a proposal for health treatment at the SUS / La política nacional de prácticas integrativas y complementarias en gran Vitória: un análisis sobre los caminos y proposiciones del PIC como propuesta de atención a la salud del Sistema Único de Salud (SUS)

Trata-se de uma pesquisa qualitativa que tem por objetivo investigar a implementação das Práticas Integrativas e Complementares no SUS na Grande Vitória. Como estratégia metodológica foram utilizadas as entrevistas semiestruturadas com três profissionais (servidoras públicas) que atuam neste contexto: uma professora de Educação Física, uma Psicóloga e uma Assistente Social. Os resultados indicam barreiras como o preconceito, a descrença e a falta de legitimidade das PIC, as quais dificultam tanto a atuação profissional, quanto a busca dos usuários por esses tratamentos (AU).

Qualitative research that investigated the implementation of Integrative and Complementary Practices in SUS. As a methodological strategy, semi-structured interviews were used with three professionals (public servants) who work in this context: a physical education teacher, a psychologist and a social worker. It was identified that most of the PIC are offered in the capital city, leaving the other municipalities short of services. About these services, the professionals claim that there are barriers such as prejudice, disbelief and lack of legitimacy of the PIC, which hinder both the professional performance and the users' search for these treatments (AU).

Investigación cualitativa que tuvo como objetivo investigar la implementación de Prácticas Integradoras y complementares en el SUS. Como estrategia metodológica, se utilizaron entrevistas semiestructuradas con tres profesionales (servidores públicos) que actúan en este contexto: una profesora de educación física, una psicóloga y una asistente social. Se identificó que la mayor parte del PIC se ofrece en la capital, quedando los demás municipios sin disponibilidad. En relación a estos servicios, los profesionales afirman que existen barreras como el prejuicio, la incredulidad y la falta de legitimidad de la PIC, que dificultan tanto la actuación profesional como la búsqueda de estos tratamientos por parte de los usuarios (AU).

Effects of Hypoxia and Reoxygenation on Metabolic Profiles of Cardiomyocytes.

In vitro cellular models provide valuable insights into the adaptive biochemical mechanisms triggered by cells to cope with the stress situation induced by hypoxia and reoxygenation cycles. The first biological data generated in studies based on this micrometric life-scale has the potential to provide us a global overview about the main biochemical phenomena presented in some reported preconditioning therapies in life-scale of higher dimensions. Thus, in this study, a cell incubator was designed and manufactured to produce a cellular model of heart hypoxia followed by reoxygenation (HfR) through consecutive repetitions of hypoxia-normoxia gas exchange. Samples of cellular extracts and culture media were obtained from non-proliferative cardiomyocytes (CMs) cultivated under challenging HfR (stressed CMs) and regular cultivation (unstressed CMs) in rounds of four days for each case. Metabolomic based on proton magnetic resonance spectroscopy (1H-MRS) was used as an analytical approach to identify and quantify the metabolomes of these samples, the endo- and exo-metabolome. Despite the stressed CMs presented over 90% higher cellular death rate compared to the unstressed CMs, the metabolic profiles indicates that the surviving cells up-regulate their amino acid metabolism either by active protein degradation or by the consumption of culture media components to increase coenzyme A-dependent metabolic pathways. This cell auto-regulation mechanism could be well characterized in the first two days when the difference smears off under once the metabolomes become similar. The metabolic adaptations of stressed CMs identified the relevance of the cyclic oxidation/reduction reactions of nicotinamide adenine dinucleotide phosphate molecules, NADP+/NADPH, and the increased tricarboxylic acid cycle activity in an environment overloaded with such a powerful antioxidant agent to survive an extreme HfR challenge. Thus, the combination of cellular models based on CMs, investigative methods, such as metabolomic and 1H-MRS, and the instrumental development of hypoxia incubator shown in this work were able to provide the first biochemical evidences behind therapies of gaseous exchanges paving the way to future assays.

Effects of evaporative cooling systems on the performance of lactating sows in a tropical climate.

This study evaluated litter performance, behavioral and physiological parameters, and milk characteristics of sows submitted to different thermal environments. Fifty sows were distributed in a completely randomized design with two treatments: an evaporative cooling system (ECS) and a conventional system (CS). Sow and its litter were characterized as an experimental unit. The animals were weighed at equalization and weaning. Feed intake, milk production, and bromatological characteristics of milk were measured; the sows respiratory rate, rectal, and surface temperature were monitored. Litter uniformity was determined at equalization and weaning. Behaviors of the sows and litters were monitored for 24 h on the 7th and 15th day of lactation. Temperature and relative humidity inside the maternity was 25.00 to 28.00 °C and 26.00 to 32.55 °C and 30.00 to 70.00% and 70.00 to 88.00%, respectively, considering ECS and CS. Nutritional quality of the milk remained stable during lactation in both systems evaluated. ECS improved the average weight of the piglets, weaning weight, and daily milk production by 0.038, 0.699, and 2.31 kg/day, respectively. Sows housed in the ECS had a reduction in physiological parameters and, increase in inactive alert behavior (1.79 percentage points) and breastfeeding behavior. Piglets showed a decrease of 2.43% in the range of feedings at night and 0.15% during the day. ECS provided better comfort to the sows at the expense of the CS and, consequently, better litter performance.

Differential Angiogenic Induction Impacts Nasal Polyp Tissue Growth.

In chronic rhinosinusitis with nasal polyps, inflammatory edema drives tissue remodeling favoring anomalous growth of the nasal mucosa, but a proangiogenic contribution of nasal polyp in support of tissue growth is still controversial. The chorioallantoic membrane of chicken embryo model was employed to address the potentiality of nasal tissue fragments to modulate angiogenesis. Fifty-seven fertilized eggs were implanted with polyp or healthy nasal mucosa tissue or were kept as non-implanted controls. The embryos' size, length, and development stage, and chorioallantoic membrane vasculature morphology were evaluated after 48 h. Quantitative computer vision techniques applied to digital chorioallantoic membrane images automatically calculated the branching index as the ratio between the areas of the convex polygon surrounding the vascular tree and the vessels' area. Ethics approval and consent to participate: the study was approved by the Human Research Ethics Committee of the Federal University of São Paulo (CAAE number: 80763117.1.0000.5505) and by the Animal Research Ethics Committee of University of São Paulo (nº CEUA 602-2019). Mucosal, but not polyp tissue implants, hampered embryo development and induced underdeveloped chorioallantoic membranes with anastomosed, interrupted, and regressive vessels. Vessels' areas and branching indexes were higher among the chorioallantoic membranes with polyp implants and controls than among those with healthy mucosa implants. Nasal polyp presents differential angiogenic induction that impacts tissue growth.

Determination by ICP-MS of Essential and Toxic Trace Elements in Gums and Carrageenans Used as Food Additives Commercially Available in the Portuguese Market.

Gums and carrageenans are food additives widely used in food preparations to improve texture and as viscosifiers. Although they are typically added in small amounts, nowadays people tend to use more and more pre-prepared food. In this work, the content of a wide panel of trace elements in commercial products were analyzed. Carrageenans and gums (n = 13) were purchased in the Portuguese market and were from European suppliers. Samples were solubilized by closed-vessel microwave-assisted acid digestion and analyzed by ICP-MS. Globally, the content of essential trace elements decreased in the following order: Fe (on average, on the order of several tens of µg/g) > Mn > Zn > Cr > Cu > Co > Se > Mo (typically < 0.1 µg/g), while the content of non-essential/toxic trace elements decreased in the following order: Al > Sr > Rb > As > Li > Cd > Pb > Hg. The consumption of these food additives can significantly contribute to the daily requirements of some essential trace elements, namely Cr and Mo. The toxic trace elements Cd, As, Pb, and Hg were below the EU regulatory limits in all analyzed samples. Additional research is needed to define the potential risk of introducing toxic trace elements into food products through the use of these additives.

O hatha-yoga no Serviço de Orientação ao Exercício (SOE) em Vitória: liberdade e estilo de vida / Hatha-yoga in the Exercise Guidance Service (SOE) in Vitória: freedom and lifestyle / Hatha-yoga em el Servicio de Orientación del Ejercicio (SOE) em Vitória: libertad y estilo de vida

RESUMO Este artigo aborda os usos do hatha-yoga como parte da oferta do Serviço de Orientação ao Exercício (SOE), vinculado à Secretaria Municipal de Saúde (Semus), da cidade de Vitória (ES). Utilizando como estratégia metodológica entrevistas semiestruturadas, aplicação de questionários e diário de campo, tem como objetivo interpretar as motivações vinculadas às escolhas pelo yoga, uma prática corporal que integra espiritualidade e bem-estar nas aulas do serviço público em Vitória. Conclui-se que as estruturas e a reflexividade fazem parte do repertório de ação para que as pessoas consigam acionar projetos de vida que os tirem de situações de insegurança e risco social.

ABSTRACT This article discusses the uses of hatha-yoga as part of the Exercise Guidance Service (SOE), linked to the Municipal Health Department (Semus), at Vitória (ES). Using semi-structured interviews as a methodological strategy, the application of questionnaires, and a field diary, the aim is to interpret the motivations linked to the choices for yoga, a body practice that integrates spirituality and well-being, in public service classes in Vitória. It is concluded that structures and reflexivity are part of the action repertoire so that people can trigger life projects that take them out of situations of insecurity and social risk.

RESUMEN Este artículo discute los usos del hatha-yoga como parte del Servicio de Orientación del Ejercicio (SOE), vinculado a la Secretaría Municipal de Salud (Semus), en la ciudad de Vitória (ES). Utilizando como estrategia metodológica entrevistas semiestructuradas, la aplicación de cuestionarios y el diario de campo, el objetivo es interpretar las motivaciones vinculadas a las elecciones por el yoga, práctica corporal que integra espiritualidad y bienestar en las clases de servicio público en Vitória. Se concluye que las estructuras y la reflexividad forman parte del repertorio de acción para que las personas puedan desencadenar proyectos de vida que las saquen de situaciones de inseguridad y riesgo social.

Discriminating aspects of global metabolism of neonatal cardiomyocytes from wild type and KO-CSRP3 rats using proton magnetic resonance spectroscopy of culture media samples.

Knockout of multifunction gene cysteine- and glycine-rich protein 3 (CSRP3) in cardiomyocytes (CMs) of mice leads to heart dilation, severely affecting its functions. In humans, CSRP3 mutations are associated with hypertrophic (HCM) and dilated cardiomyopathy (DCM). The absence of the CSRP3 expression produces unknown effects on in vitro neonatal CMs' metabolism. The metabolome changes in culture media conditioned by CSRP3 knockout (KO-CSRP3), and wild type (WT) neonatal cardiomyocytes were investigated under untreated or after metabolic challenging conditions produced by isoproterenol (ISO) stimulation, by in vitro high-resolution proton magnetic resonance spectroscopy (1H-MRS)-based metabolomics. Metabolic differences between neonatal KO-CSRP3 and WT rats' CMs were identified. After 72 h of culture, ISO administration was associated with increased CMs' energy requirements and increased levels of threonine, alanine, and 3-hydroxybutyrate in both neonatal KO-CSRP3 and WT CMs conditioned media. When compared with KO-CSRP3, culture media derived from WT cells presented higher lactate concentrations either under basal or ISO-stimulated conditions. The higher activity of ketogenic biochemical pathways met the elevated energy requirements of the contractile cells. Both cells are considered phenotypically indistinguishable in the neonatal period of animal lives, but the observed metabolic stress responses of KO-CSRP3 and WT CMs to ISO were different. KO-CSRP3 CMs produced less lactate than WT CMs in both basal and stimulated conditions. Mainly, ISO-stimulated conditions produced evidence for lactate overload within KO-CSRP3 CMs, while WT CMs succeeded to manage the metabolic stress. Thus, 1H-MRS-based metabolomics was suitable to identify early inefficient energetic metabolism in neonatal KO-CSRP3 CMs. These results may reflect an apparent lower lactate transport and consumption, in association with protein catabolism.

O yoga no serviço de orientação ao exercício (SOE) de Vitória: uma ascese contemporânea religiosa e corporal / Yoga at the exercise orientation service in Vitoria (Brazil): a contemporary religiously and bodily ascetism / El yoga en los servicios de orientación al ejercicio ( SOE) de Vitória/ES (Brasil): un ascetismo contemporáneo religioso y corporal

Este artigo pretende analisar a presença da religiosidade em aulas de yoga ofertadas pelo serviço público de saúde na cidade de Vitória. O trabalho de campo teve duração de um ano e sete meses e acompanhou duas turmas, constituindo-se por uma pesquisa qualitativa em que foram utilizados os seguintes instrumentos metodológicos: ob- servação participante, entrevistas semiestruturadas, aplicação de ques- tionário e formulação de diários de campo. Assim, identificamos que as aulas de yoga tinham uma conotação em que os aspectos religiosos eram sua marca identitária, conformando-se em uma ascese contem- porânea própria de processos ambivalentes e mostrando-se como uma prática exemplar dos processos de hibridização cultural.

This paper intends to analyze the presence of religiosity discourses in yoga classes at the public health service in Vitória/ES (Brazil). Field research lasted a year and seven months and followed two yoga groups, constituting a qualitative research in which are used the following methodological instruments: semi-structured interviews, participant observation, surveys and formulation of field diaries. It was identified a particular connotation on yoga classes, where religious aspects were their identity mark, conforming a contemporary ascetism which is part of an ambivalent processes and showing this corporal practice as an example of a cultural hybridization processes.

Este artículo pretende analizar la presencia de la religiosidad en clases de yoga ofrecidas por el servicio público de salud en la ciudad de Vitória/ES (Brasil). El trabajo de campo tuvo una duración de un año y siete meses y acompañó a dos grupos, constituyéndose de una investigación cualitativa en que fueron utilizados los siguientes instrumentos metodológicos: observaciones participantes, entrevistas semiestructuradas, aplicación de encuestas y formulación de diarios de campo. Identificamos que las clases de yoga tenían una connotación en que los aspectos religiosos eran su marca identitaria, conformándose en un ascetismo contemporáneo propio de procesos ambivalentes y mostrándose como una práctica ejemplar de los procesos de hibridación cultural.

The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-di-methyl-anilino)-N-(3,4-di-methyl-phen-yl)quinoline-3-carboxamide.

The structure of the title quinoline carboxamide derivative, C26H25N3O, is described. The quinoline moiety is not planar as a result of a slight puckering of the pyridine ring. The secondary amine has a slightly pyramidal geometry, certainly not planar. Both intra- and inter-molecular hydrogen bonds are present. Hirshfeld surface analysis and lattice energies were used to investigate the inter-molecular inter-actions.

Recent Approaches on Signal Transduction and Transmission in Acupuncture: A Biophysical Overview for Medical Sciences.

Acupuncture is one of the areas among the alternative therapies that arise high curiosity in the biomedical scientific community. It is particularly popular for treatment of chronic diseases and addictions. However, contrasting with its evidence-based effectiveness, the lack of reasonable explanations for its mode of action divides that scientific community. Difficulties also arise to those responsible for providing information for clinicians and professionals who wish to acquire competencies leading to the acupuncture practice and have a background based on biochemistry and physiology. The classic theories of nerve conduction do not fully explain how information is read and transmitted during the acupuncture treatment. Other theories have been proposed, but they are based on concepts such as biophotonic waves and quantum biochemistry that are difficult to read and understand by those who do not have knowledge in physics. It is the main objective of this review to provide a summary of the main theories and explanatory approaches to the signal transduction and conduction in acupuncture and to describe them in terms of their explanatory hypotheses, limitations, and weaknesses. The most of the literature found support theories for neural conduction, including gate control. They explain the effects of acupuncture in pain relief; few studies have been conducted concerning the conduction based on biophotons. The primo vascular system has been referred as a possible anatomic support for conduction of information during an acupuncture treatment, which could be connected to biophoton transmission.

Erratum: Crystal structures and Hirshfeld surface analyses of (E)-N'-benzyl-idene-2-oxo-2H-chromene-3-carbo-hydrazide and the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-trimeth-oxybenzyl-idene)-2H-chromene-3-carbohydrazide: lattice energy and inter-molecular inter-action energy calculations for the former. Corrigendum.

[This corrects the article DOI: 10.1107/S2056989019012015.].

Crystal structure, Hirshfeld surface analysis and PIXEL calculations of a 1:1 epimeric mixture of 3-[(4-nitro-benzyl-idene)amino]-2(R,S)-(4-nitro-phenyl)-5(S)-(propan-2-yl)imidazolidin-4-one.

A 1:1 epimeric mixture of 3-[(4-nitro-benzyl-idene)amino]-2(R,S)-(4-nitro-phen-yl)-5(S)-(propan-2-yl)imidazolidin-4-one, C19H19N5O5, was isolated from a reaction mixture of 2(S)-amino-3-methyl-1-oxo-butane-hydrazine and 4-nitro-benz-alde-hyde in ethanol. The product was derived from an initial reaction of 2(S)-amino-3-methyl-1-oxo-butane-hydrazine at its hydrazine group to provide a 4-nitro-benzyl-idene derivative, followed by a cyclization reaction with another mol-ecule of 4-nitro-benzaldehyde to form the chiral five-membered imidazolidin-4-one ring. The formation of the five-membered imidazolidin-4-one ring occurred with retention of the configuration at the 5-position, but with racemization at the 2-position. In the crystal, N-H⋯O(nitro) hydrogen bonds, weak C-H⋯O(carbon-yl) and C-H⋯O(nitro) hydrogen bonds, as well as C-H⋯π, N-H⋯π and π-π inter-actions, are present. These combine to generate a three-dimensional array. Hirshfeld surface analysis and PIXEL calculations are also reported.

Crystal structures and Hirshfeld surface analyses of (E)-N'-benzyl-idene-2-oxo-2H-chromene-3-carbo-hydrazide and the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-trimeth-oxybenzyl-idene)-2H-chromene-3-carbohydrazide: lattice energy and inter-molecular inter-action energy calculations for the former.

The crystal structures of the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-tri-meth-oxy-benzyl-idene)-2H-chromene-3-carbohydrazide, C20H18N2O6·0.5C2H6OS, and (E)-N'-benzyl-idene-2-oxo-2H-chromene-3-carbohydrazide, C17H12N2O3 (4: R = C6H5), are discussed. The non-hydrogen atoms in compound [4: R = (3,4,5-MeO)3C6H2)] exhibit a distinct curvature, while those in compound, (4: R = C6H5), are essential coplanar. In (4: R = C6H5), C-H⋯O and π-π intra-molecular inter-actions combine to form a three-dimensional array. A three-dimensional array is also found for the hemi-DMSO solvate of [4: R = (3,4,5-MeO)3C6H2], in which the mol-ecules of coumarin are linked by C-H⋯O and C-H⋯π inter-actions, and form tubes into which the DMSO mol-ecules are cocooned. Hirshfeld surface analyses of both compounds are reported, as are the lattice energy and inter-molecular inter-action energy calculations of compound (4: R = C6H5).

As práticas corporais alternativas e a Educação Física: uma revisão sistemática / Alternative corporal practices and physical education: a systematic review / Lás prácticas corporales alternativas y la educación física: una revisión sistemática

Este artigo tem por objetivo investigar a produção do conhecimento sobre as Práticas Corporais Alternativas (PCAs) no campo acadêmico da Educação Física. Trata-se de um levantamento sobre essa temática entre os anos de 1979-2015, em cinco periódicos de relevância no campo acadêmico. Identificaram-se aspectos sobre as significações e proposições das PCAs, bem como as concepções sobre o corpo e seus usos. Foram analisados os aspectos vinculados às tradições e gênese dessas práticas no interior da área e suas articulações com diferentes práticas corporais. Os resultados se pautam na inserção da PCAs no campo acadêmico, suas propostas e vínculos com a Educação Física, na relação entre corpo e mente, religiosidade e espiritualidade (holismo), bem como na propagação dessas práticas no campo da Educação Física.

This article aims to investigate Alternative Corporal Practices (PCAs as in portuguese) in the academic field of Physical Education. The main idea is to analyze, this in articles published in five journals of relevance in academic Brazilian field, between 1979-2015. The object is to identify meanings and propositions of PCAs, as well as the conceptions about the body and its uses. The aspects related to the traditions and genesis of these practices within the area were analyzed and their relations with different corporal practices. The conclusion are based on the inclusion of PCAs in the academic field, its relationship between body and mind, religiosity and spirituality (holism), as well as in the propagation of these practices in the field of Physical Education.

Este artículo tiene el objetivo de investigar la producción del conocimiento sobre las Prácticas Corporales Alternativas (PCAs) en el campo académico de la Educación Física. Se trata de un levantamiento sobre esa temática entre los años 1979-2015, en cinco periódicos de relevancia en el campo académico. Se identificaron aspectos sobre las significaciones y proposiciones de las PCAs así como las concepciones sobre el cuerpo y sus usos. Fueron analizados los aspectos asociados a las tradiciones y genesis de esas prácticas en el interior del área y sus articulaciones con diferentes prácticas corporales. Los resultados se basan en la inserción de las PCAs en el campo académico, sus propuestas y vínculos con la Educación Física, en su relación entre cuerpo y mente, religiosidad y espiritualidad (holismo) así como en la propagación de esas prácticas en el campo de la Educación Física.

Crystal structures and Hirshfeld surfaces of four meth-oxy-benzaldehyde oxime derivatives, 2-MeO-XC6H3C=NOH (X = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns.

The crystal structures of four (E)-meth-oxy-benzaldehyde oxime derivatives, namely (2-meth-oxy-benzaldehyde oxime, 1, 2,3-di-meth-oxy-benzaldehyde oxime, 2, 4-di-meth-oxy-benzaldehyde oxime, 3, and 2,5-di-meth-oxy-benzaldehyde oxime, 4, are discussed. The arrangements of the 2-meth-oxy group and the H atom of the oxime unit are s-cis in compounds 1-3, but in both independent mol-ecules of compound 4, the arrangements are s-trans. There is also a difference in the conformation of the two mol-ecules in 4, involving the orientations of the 2- and 5-meth-oxy groups. The primary inter-molecular O-H(oxime)⋯O(hy-droxy) hydrogen bonds generate C(3) chains in 1 and 2. In contrast, in compound 3, the O-H(oxime)⋯O(hy-droxy) hydrogen bonds generate symmetric R 2 2(6) dimers. A more complex dimer is generated in 4 from the O-H(oxime)⋯O(hy-droxy) and C-H(2-meth-oxy)⋯O(hy-droxy) hydrogen bonds. In all cases, further inter-actions, C-H⋯O and C-H⋯π or π-π, generate three-dimensional arrays. Hirshfeld surface and fingerprint analyses are discussed.

Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-XC6H3C=NOH (X = Me, OH and MeO).

The crystal structures of three salicyaldoxime compounds, namely 2-hy-droxy-4-methyl-benzaldehyde oxime, C8H9NO2, 1, 2,4-di-hydroxy-benzaldehyde oxime, C7H7NO3, 2, and 2-hy-droxy-4-meth-oxy-benzaldehyde oxime, C8H9NO3, 3, are discussed. In each compound, the hydroxyl groups are essentially coplanar with their attached phenyl group. The inter-planar angles between the C=N-O moieties of the oxime unit and their attached phenyl rings are 0.08 (9), 1.08 (15) and 6.65 (15)° in 1, 2 and 3, respectively. In all three mol-ecules, the 2-hy-droxy group forms an intra-molecular O-H⋯N(oxime) hydrogen bond. In compound (1), inter-molecular O-H(oxime)⋯O(hydrox-yl) hydrogen bonds generate R 2 2(14) dimers, related by inversion centres. In compound 2, inter-molecular O-H(oxime)⋯O(4-hy-droxy) hydrogen bonds generate C9 chains along the b-axis direction, while O-H(4-hydrox-yl)⋯O(2-hydrox-yl) inter-actions form zigzag C6 spiral chains along the c-axis direction, generated by a screw axis at 1, y, 1/4: the combination of the two chains provides a bimolecular sheet running parallel to the b axis, which lies between 0-1/2 c and 1/2-1 c. In compound 3, similar C9 chains, along the b-axis direction are generated by O-H(oxime)⋯O(4-meth-oxy) hydrogen bonds. Further weaker, C-H⋯π (in 1), π-π (in 2) and both C-H⋯π and π-π inter-actions (in 3) further cement the three-dimensional structures. Hirshfeld surface and fingerprint analyses are discussed.

Crystal structures and Hirshfeld surface analyses of the di- and tri-hydrates of (5α,17E)-17-hydrazonoandrostan-3-ol: Significant differences in the hydrogen bonding patterns and supramolecular arrangements.

The crystal structures, Hirshfeld surface analyses and electrostatic potential surfaces of the di- and tri-hydrates of (5α,17E)-17-hydrazonoandrostan-3-ol, 3, namely [3·(H2O)2] and [3·(H2O)3], are reported. The trihydrate, isolated from a solution of 3 in moist methanol, recrystallizes in the orthorhombic space group, P212121, while that of the dihydrate, isolated from a 1:1 aqueous methanol solution, recrystallizes in the monoclinic space group, P21. The asymmetric unit of the trihydrate involves one steroid and three water molecules, while that of the dihydrate has two similar but independent steroid molecules and four hydrate molecules. Very similar conformations are found for the steroid molecules in both hydrates. As expected, the different mole ratios of water: steroid have major influences on the structures. In both cases, complex crystal structures are constructed from various classical hydrogen bonds, involving the hydrate molecules and the hydroxy and hydrazonyl moieties of the steroid. In the trihydrate, there are no direct connections between the steroid molecules, instead the water molecules link the steroid molecules, with only weak van der Waals forces between the steroid molecules. There are some direct links between the steroid molecules in the dihydrate, involving OH(steroid hydroxyl)⋯O(steroid oxo) hydrogen bonds, in a head to head fashion, and OH⋯N(hydrazonyl) hydrogen bonds, in a head to tail fashion. However, the major occurrence throughout the structure is of steroid molecules linked by water molecules.

Crystal structures and Hirshfeld surface analyses of the hemi-hydrate and hemi-methanolate of 3α-hydroxy-16α-bromoandrostan-17-one, 3: Differences in supramolecular arrangements.

The crystal structures and Hirshfeld surface analyses of two hemi-solvates of 3α-hydroxy-16α-bromoandrostan-17-one, 3, namely [(3)2.(H2O)] and [(3)2.(MeOH)], are reported. Both solvates crystallize in the monoclinic space group, P21, with Z = 4.. The asymmetric unit of the hemi-hydrate [(3)2.(H2O)] contains two independent but similar steroid molecules and a water molecule, while that of the hemi-methanoate [(3)2.(MeOH)] has four similar but independent steroid molecules and two methanol molecules. Very similar conformations are found for the steroid molecules in both solvates. In both solvates, the strongest intermolecular interactions are OH···O hydrogen bonds, involving hydroxyl groups of the steroid and the solvate molecule, which result in head-to-head directly linked steroid molecules and solvate separated steroid molecules. In both cases, the oxygen atoms of the carbonyl groups of the steroids are involved in weaker CH···O hydrogen bonds which directly link steroid molecules in tail-to-tail fashions. Combinations of the hydrogen bonds, both OH···O and CH···O, result in two-molecule wide sheets in the hemi-hydrate, which are further weakly linked in the hemi--methanoate into a 3-dimensional array. Very different hydrogen bonded chains are found in the two solvates. There is a higher proportion of CH···O to OH···O hydrogen bonds in the hemi-methanoate, [8-6], compared to that in the hemi-hydrate [1-4]: this is an indication of the weaker solvating influence of methanol compared to water.