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1.
Biomedicines ; 11(7)2023 Jun 25.
Article in English | MEDLINE | ID: mdl-37509461

ABSTRACT

Bicuspid aortic valve (BAV) affects 0.5-2% of the general population and constitutes the major cause of severe aortic valve stenosis (AVS) in individuals ≤70 years. The aim of the present study was to evaluate the parameters that may provide information about the risk of AVS developing in BAV patients, with particular emphasis on lipoprotein(a) (Lp(a)), which is a well-recognized risk factor for stenosis in the general population. We also analyzed the impact of autotaxin (ATX) and interleukin-6 (IL-6) as parameters potentially related to the pathomechanism of Lp(a) action. We found that high Lp(a) levels (>50 mg/dL) occurred significantly more frequently in patients with AVS than in patients without AVS, both in the group below and above 45 years of age (p = 0.036 and p = 0.033, respectively). Elevated Lp(a) levels were also strictly associated with the need for aortic valve replacement (AVR) at a younger age (p = 0.016). However, the Lp(a) concentration did not differ significantly between patients with and without AVS. Similarly, we observed no differences in ATX between the analyzed patient groups, and both ATX activity and concentration correlated significantly with Lp(a) level (R = 0.465, p < 0.001 and R = 0.599, p < 0.001, respectively). We revealed a significantly higher concentration of IL-6 in young patients with AVS. However, this observation was not confirmed in the group of patients over 45 years of age. We also did not observe a significant correlation between IL-6 and Lp(a) or between CRP and Lp(a) in any of the analyzed groups of BAV patients. Our results demonstrate that a high level of Lp(a), greater than 50 mg/dL, may be a significant predictive factor for earlier AVR. Lp(a)-related parameters, such as ATX and IL-6, may be valuable in providing information about the additional cardiovascular risks associated with developing AVS.

2.
Article in English | MEDLINE | ID: mdl-36078718

ABSTRACT

The aim of the study was to determine the relationship between self-assessment of physical fitness and health, and the motivational role of physical activity goals in people, depending on their sports discipline. The study included 470 men and 218 women, aged 18-45, from western and southern Poland. The respondents practiced sports recreationally (fitness-F), competitively (football-FB, martial arts-MA), and for rehabilitation and sports purposes (wheelchair rugby-R). The standardized questionnaire for the motivational role of physical activity goals (Inventory of Physical Activity Objectives, IPAO) by Lipowski and Zaleski and the authors' questionnaire on lifestyle were used. In the statistical analyses, non-parametric statistics were used. Individuals with very high and high self-assessment of their physical fitness and very good self-assessment of health achieved higher scores on the motivational value scale, time management, motivational conflict and multidimensionality of physical activity goals (p < 0.05). Respondents who assessed their health as very good achieved lower results on the perseverance scale, compared to those who assessed their health as good or poor. Self-assessment of physical fitness had a positive, high and moderate correlation with the self-assessment of health in people practicing wheelchair rugby, fitness, football and martial arts (r = 0.61; r = 0.52; r = 0.41; r = 0.40, respectively). Correlations were found between the motivational role and time management in people practicing fitness (r = 0.81), football (r = 0.66) and martial arts (r = 0.45), and multidimensionality of goals in those practicing fitness (r = 0.65) and martial arts (r = 0.42) Wheelchair rugby players scored the highest on all KCAF scales (except for motivational conflict). Self-assessment of physical fitness of wheelchair rugby players and fitness practitioners was negatively correlated with time management (r = -0.68; r = -0.49), multidimensionality of goals (r = -0.51; r = -0.49) and motivational values (r = -0.43; r = -0.43). The demonstrated relationships indicated that there was a need to strengthen the self-esteem and motivation for physical activity, promoting perseverance, the ability to focus on the implementation of one's goals and prioritizing the goals among people practicing various sports disciplines.


Subject(s)
Football , Martial Arts , Wheelchairs , Exercise , Female , Humans , Male , Motivation , Physical Fitness , Rugby , Self-Assessment
3.
Article in English | MEDLINE | ID: mdl-35805536

ABSTRACT

Sports serve people with disabilities as a form of rehabilitation. Sporting activity is a health-promoting behavior choice and a chance to achieve the best possible sports results. The aim of this study was to evaluate the intensity of health behaviors in people practicing wheelchair basketball, wheelchair rugby and para-rowing. The study encompassed 176 athletes with disabilities, aged 19 to 49 (mean age 34.41 ± 8.56), from all over Poland. Men accounted for 83.5% of the respondents. They all had a significant degree of disability and used wheelchairs in their daily lives. The authors used Juczynski's Health Behavior Inventory (HBI) and the authors' own survey questionnaire. Nonparametric tests were used. A greater intensity of health behaviors in general (HBI­point score) and in four categories (correct eating habits­CEH, preventive behaviors­PB, positive mental attitude­PMA, health practices­HP) was observed in rugby and basketball players (compared with para-rowers). Disabled rowers achieved the poorest results. Polish Champions scored better results in preventive behaviors (PB) and weaker results in positive mental attitude (PMA)compared with those practicing amateur sport. Respondents who trained every day and had the longest weekly exercise time (>360 min) achieved the highest results in HBI in general and in all categories compared with those who trained once a week for less than 120 min a week. Respondents with higher education, those in a better financial situation, those who were employed and married, and those who were rural residents displayed a greater intensity of health-related behaviors. People in a more difficult financial situation, who had less education, who were cohabiting, and who lived on only a pension presented more preventive behaviors. There is a need for systemic health education aimed at people with disabilities who practice various sports disciplines.


Subject(s)
Basketball , Disabled Persons , Water Sports , Wheelchairs , Adult , Health Behavior , Humans , Male , Rugby
4.
Article in English | MEDLINE | ID: mdl-34068299

ABSTRACT

Physical activity increases human health potential and has an impact on achieving a higher quality of life in society. The aim of our research was to determine the relationship between a physically active lifestyle and the quality of life of female students in the context of demographic and social factors (major, age, marital status, professional activity). The research was conducted among a group of 285 women studying physical culture and social sciences in Poznan and Szczecin (Poland). Average age: 22.7 ± 4.90. The standardized World Health Organization Quality of Life-BREF (WHQOL-BREF) questionnaire was used to assess the quality of life of female students, and the original survey technique was used to study the lifestyle of people undertaking physical activity in the context of socio-demographic factors. Nonparametric statistics were applied in the analyses of the results. The effect size was calculated for each test: E2R for the Kruskal-Wallis H test, Glass rank biserial correlation (rg) for the Mann-Whitney U test, and Cramér's V for the χ2 test. The value of p ≤0.05 was assumed to be a significant difference. In the study, it was shown that a higher overall quality of life and health satisfaction, as well as better results in the physical, psychological, and environmental domains, were achieved by female students who assessed their lifestyle as physically active in comparison to those physically inactive. Higher scores of overall quality of life and satisfaction with health were found among female students of physical education and people participating in physical recreation, who also achieved better results in the environmental domain. Female students aged 23-25 had a higher quality of life in the physical, psychological, and social domains. Having a partner or spouse had a positive effect on the quality of life of female students defined by the social domain. A higher overall quality of life and satisfaction with health were characteristic of people who were employed. In the search of factors positively influencing the quality of life of society, it seems necessary to promote a physically active lifestyle among students. The observed differences in the quality of life and health satisfaction of female students of selected majors require targeted programs and interventions that improve the quality of their lives at various stages of their studies. Such activities increase the health potential of the individual and society, not only in the biological, but also psychosocial dimension.


Subject(s)
Quality of Life , Universities , Adolescent , Adult , Cross-Sectional Studies , Exercise , Female , Humans , Poland , Students , Surveys and Questionnaires , Young Adult
5.
Article in English | MEDLINE | ID: mdl-33917082

ABSTRACT

Physical activity is one of the factors conditioning human health. Research shows a positive impact of regular physical activity on the quality of human life. The aim of the study was to determine the relationship between the physical activity of university students, their parents, and their grandparents, and the overall quality of their lives in individual domains (physical, mental, social, environmental), as well as the perceived state of health in relation to selected determinants. The research included 1001 participants, including 253 students related to physical culture and health promotion studying at the University of Szczecin (faculties: physical education, tourism and recreation, public health, sports diagnostics), and their 336 parents and 412 grandparents. Purposive sampling was used to outline the determinants of quality of life and family factors in physical activity. The diagnostic survey was carried out based on the standardized WHOQOL-BREF (World Health Organization Quality of Life) questionnaire. Statistically significant differences were shown in the studied generations regarding the assessment of quality of life and satisfaction with health in the physical, psychological, social, and environmental domains. The oldest generation gave the lowest assessment of quality of life and was the least satisfied with their health regarding particular domains. Female students were more satisfied with their health compared to grandmothers and grandfathers, whereas male students compared to mothers and fathers. Fathers achieved the highest scores in the psychological and social domains, but, in case of the latter, differences were found between mothers' and fathers' assessments. Intergenerational differences were found in quality of life and the assessment of health status. Current participation in broadly understood physical culture was often a result of positive attitudes towards physical education and doing sport in the past, which meant higher scores in the physical domain each time. The study demonstrated that taking up physical activity impacted the quality of life and assessment of health in the past and currently.


Subject(s)
Grandparents , Exercise , Female , Humans , Male , Poland , Quality of Life , Students , Surveys and Questionnaires , Universities
6.
J Cancer Educ ; 36(3): 561-566, 2021 06.
Article in English | MEDLINE | ID: mdl-31953802

ABSTRACT

Providing care for dying patients and their families is an important skill for the nursing profession. The attitude of persons working with a dying person plays an important role in the quality of care provided. In this context, comprehensive preparation of medical staff for care giving to dying patient is very important. No scientific research based on the Frommelt Attitudes Toward Care of the Dying Scale form B has been done in Poland. The study aimed at translations, assessments of credibility, and reliability of psychometric properties of the Polish version of the questionnaire of Frommelt Attitudes Toward Care of the Dying Scale form B (FATCOD-BP). The study included 107 students of the Nursing Department at Medical University of Warsaw. The validation was performed with the use of Cronbach's alpha coefficient, Horn's parallel analysis, Kaiser-Meyer-Olkin index, and Bartlett's sphericity test. The result of Cronbach's alpha for FATCOD-BP was a = 0.725. Kaiser-Meyer-Olkin index equaled 0.696. Bartlett's sphericity test was p < 0.001. The FATCOD-BP scale is characterized by a high index of reliability. Reciprocal correlations occur between variables introduced into the model. The FATCOD-BP scale is an appropriate research tool for conducting further studies in nurses in Poland.


Subject(s)
Students, Nursing , Terminal Care , Attitude of Health Personnel , Attitude to Death , Humans , Language , Palliative Care , Poland , Psychometrics , Reproducibility of Results , Surveys and Questionnaires
7.
Neurol Res ; 42(5): 430-438, 2020 May.
Article in English | MEDLINE | ID: mdl-32156200

ABSTRACT

Objective: To determine the time of dementia diagnosis, symptom intensity and to assess the comorbidities.Methods: 110 patients with dementia or mild cognitive impairment were enrolled in this retrospective study. The study group was divided into subgroups: patients with a maximum of three (S ≤ 3 n = 62) and four or more symptoms (S ≥ 4 n = 48). Baseline characteristics, disease duration and the number of comorbidities were analyzed.Results: The median time from the first symptoms to diagnosis [months] (FS-D) was 12.0, while from diagnosis to enrollment (D-E) was 42.66. The median time from D-E was significantly longer in S ≥ 4 and significant correlation was observed between the median time from D-E and number of symptoms [n] (R = 0.3240, p < 0.05). Significantly more patients were newly diagnosed with AF [%] [14.58 vs. 3.23, p = 0.032], Parkinson's disease [29.17 vs. 8.06, p = 0.004] and depression [31.25 vs. 6.45, p = 0.001] in S ≥ 4 compared to S ≤ 3, respectively. Conclusions: A considerable delay in the diagnosis of dementia was confirmed. Clinical features were associated with the disease duration and the severity of symptoms. Appropriate diagnosis of AF in patients with dementia is of great importance.


Subject(s)
Atrial Fibrillation/complications , Cognitive Dysfunction/complications , Dementia/complications , Aged , Aged, 80 and over , Atrial Fibrillation/diagnosis , Cognitive Dysfunction/diagnosis , Comorbidity , Dementia/diagnosis , Female , Humans , Male , Retrospective Studies , Risk Factors
8.
Article in English | MEDLINE | ID: mdl-31373295

ABSTRACT

Background: Health behaviors are associated with a healthy lifestyle, in which relative possibilities of choice play an important part. Athletes are a group of people who should particularly endeavor to have a health-oriented lifestyle. It is believed that combat sports (CS) and martial arts (MA) have an especially significant educational potential, connected with several desirable values which provide positive patterns of health behaviors. The aim of the work was to assess the intensity of health behaviors in athletes who practiced CS and MA in relation to the length of their training history, their age, sex, place of residence, education level, and financial situation. Methods: The research involved 441 men and women who practiced boxing (B), Brazilian ju-jitsu (BJJ), karate (K), mixed martial arts (MMA) and Muay Thai (MT). The average age of the subjects was 24.68 ± 8.24 years. The standardized Health Behavior Inventory (HBI) questionnaire and another questionnaire for a lifestyle survey were applied. Individual behaviors covered four areas: Correct eating habits (CEH), preventive behaviors (PB), positive mental attitude (PMA), and health practices (HP). The one-way analysis of variance (F-test) for independent groups was used (ANOVA). The effect size was calculated with Hedge's g for Student's t-test, and with Cramér's V for the χ2 test. The value of p ≤ 0.05 was assumed to be statistically significant. Results: CS and MA athletes presented a moderate level of health behaviors. The greater intensity of health behaviors (HBI and its categories) was found among B, K and MMA athletes, and the smaller among those who practiced MT. Correct eating habits (CEH) were characteristic of subjects who practiced every day and whose length of training history was 4-8 years. Greater intensity of preventive behaviors (PB) was observed among individuals aged under-19 years, who still studied. Greater intensity of health practices (HP) was found among those who exercised every day. Influence of financial situation was observed in relations to PMA. Conclusions: It seems that the existing educational potential of CS and MA was not fully realized in the studied population. Determining the place of health in the system of values of CS and MA athletes may be the basis for predicting health behaviors and developing health education programs.


Subject(s)
Athletes/statistics & numerical data , Health Behavior , Martial Arts/statistics & numerical data , Adolescent , Adult , Age Factors , Athletes/psychology , Brazil , Educational Status , Female , Healthy Lifestyle , Humans , Male , Martial Arts/psychology , Residence Characteristics/statistics & numerical data , Sex Factors , Socioeconomic Factors , Young Adult
9.
Article in English | MEDLINE | ID: mdl-30857363

ABSTRACT

Background: The quality of life of a society is conditioned by many factors, and depends, among other things, on preferred behavior patterns. Combat sports (CS) and martial arts (MA) have a special educational potential in the area of shaping positive behavior patterns and transmitting moral values which could help reduce aggression in society. The aim of the work was to determine the relationship between health behaviors and the quality of life of people who practice combat sports and martial arts (CS and MA) recreationally, in addition to practicing other sports, and as competitors at the master level. Methods: The research embraced 543 people who practice combat sports and martial arts. Three groups were selected: recreational (n = 362), people who reconciled practicing various sports (n = 115), and competitors who practiced combat sports or martial arts at the master level (n = 66). The average age of the respondents was 24.49 ± 7.82. The standardized WHOQOL-BREF questionnaire and another questionnaire for a lifestyle survey were applied. The Kruskal-Wallis test was used to compare several independent samples. In the case of determining statistical significance of differences the Mann-Whitney test was employed, and for the qualitative data analyses the trait frequency and the independence chi-square test were used. The effect size was calculated for each test ( E R 2 , rg, Cramér's V). The value of p ≤ 0.05 was assumed to be statistically significant. Results: The highest quality of life (in the physical, psychological and environmental domains) was characteristic of the competitors, who practiced only combat sports and martial arts. They also displayed the most health-oriented behaviors. The surprising results were: lower quality of life in the assessment of nondrinkers and nonsmokers, and higher among people who were overweight. Conclusions: We have found positive correlations between practicing CS and MA, health behaviours and higher scores in quality of life self-evaluation, particularly where practitioners are exclusively focused on CS and MA and practice these at a competitive level. Our findings thus support the growing evidence that competitive level CS and MA are an effective means of improving people's quality of life. Future research needs to clarify whether CS and MA can also be recommended to recreational and non-competitive practitioners as a means to improve their subjective quality of life.


Subject(s)
Health Behavior , Martial Arts/statistics & numerical data , Quality of Life , Adolescent , Adult , Female , Humans , Male , Poland , Young Adult
10.
Subst Abuse Treat Prev Policy ; 13(1): 42, 2018 11 29.
Article in English | MEDLINE | ID: mdl-30497492

ABSTRACT

BACKGROUND: The use of alcohol, tobacco, and illicit substances typically first occurs in adolescence. The purpose of this study was to examine alcohol, cigarette, and illicit substance use among adolescents in Poland, including the age of initiation, frequency of use, methods of access, location of use, and parental knowledge and attitude. METHODS: An author-derived questionnaire was used to cross-sectionally survey 541 participants aged 13-17 years old. Due to the fact that some answers were lacking, the number of questionnaires analysed was 538 in case of smoking and illicit substances use, and 535 in case of alcohol drinking. RESULTS: The use of alcohol, cigarette, and illicit substance among the investigated group was 36.1, 37.6, and 10.8% respectively. The average age of initiation was 13-14 years old. Parents were aware of alcohol, cigarette, and illicit substance use 49.5, 35.8 and 22.4% of the time, respectively, and the rate of acceptance was 5.7 and 6.7% for alcohol and cigarettes. More than 28% of participants smoked in school, and 32.7% accessed illicit substances in the school's neighborhood. CONCLUSIONS: The rate of alcohol, cigarette, and illicit substance use in Poland is high and increasing, despite globally designed preventative actions. Parents' awareness of children's alcohol, cigarette, or illicit substance use is low, and schools hardly fulfil their educational and protective role. Preventative actions are necessary, and local challenges should be considered.


Subject(s)
Adolescent Behavior , Alcohol Drinking/epidemiology , Smoking/epidemiology , Substance-Related Disorders/epidemiology , Adolescent , Age of Onset , Attitude , Cross-Sectional Studies , Female , Humans , Male , Parents/psychology , Poland/epidemiology
11.
Redox Rep ; 21(5): 209-18, 2016 Sep.
Article in English | MEDLINE | ID: mdl-26824276

ABSTRACT

BACKGROUND: There is strong evidence that hypertension and depression are comorbid and oxidative stress is implicated in both pathologies. We aimed to elucidate the relationship between biochemical markers of the antioxidant-pro-oxidant equilibrium and depression in hypertension. METHODS: Blood was collected from patients diagnosed with depression, hypertension, or comorbid depression and hypertension and healthy age- and sex-matched controls. Whole blood reduced glutathione, erythrocyte superoxide dismutase (SOD-1), glutathione peroxidase (GPx-1), glutathione reductase (GR), malondialdehyde (MDA), and plasma hydrogen peroxide (H2O2) were assayed using spectrophotometry, and heme oxygenase (HO-1) levels were determined immunoenzymatically. RESULTS: Both hypertension and depression were associated with altered antioxidant-pro-oxidant profiles. Decreased GPx-1 and SOD-1 activities, increased GR activity, increased levels of GSH, and increased concentrations of MDA and H2O2 were observed in patients compared to controls. Inducible HO-1 was specifically decreased in patients with depression and was significantly associated with both the prevalence and severity of depressive symptoms. CONCLUSIONS: Heme oxygenase is a biological factor that might explain the relationship between inflammation, oxidative stress, and the biological and functional changes in brain activity in depression. HO-1 is a candidate depression biomarker and provides an avenue for novel preventative and diagnostic strategies against this disease.


Subject(s)
Depressive Disorder/enzymology , Heme Oxygenase (Decyclizing)/metabolism , Hypertension/enzymology , Antioxidants/metabolism , Depressive Disorder/pathology , Depressive Disorder/physiopathology , Fasting/blood , Female , Heme Oxygenase (Decyclizing)/genetics , Humans , Hypertension/pathology , Hypertension/physiopathology , Male , Middle Aged , Oxidative Stress/physiology
12.
Article in English | MEDLINE | ID: mdl-25106817

ABSTRACT

In the present work, the experimental and theoretical study of the nature of the inter-hydrogen bond interactions in two different carboxylic acids, 3-methylcinnamic acid (3MCA) and 4-phenylbutyric acid (4PBA), were reported. The polarized IR spectra of 3MCA and 4PBA crystals were recorded at the frequency ranges of the νO-H and νO-D bands. The spectral properties of 3MCA and 4PBA interpreted with the aid of the calculations based on the "strong-coupling" model. The differences in the spectral properties of the two different dimeric systems in the crystals provide a valuable information about the existence of a direct relationship between the crystal spectral properties in IR and the electronic structure of the molecular systems. In 3MCA crystals strong vibrational exciton interactions favor a "tail-to-head" (TH)-type Davydov coupling widespread via the π-electrons, whereas in 4PBA crystals a weak "through-space" (SS) exciton coupling is responsible for a "side-to-side"-type coupling. The relative contribution of each individual exciton coupling mechanism in IR spectra generation strongly depends on temperature and molecular electronic structure. The H/D isotopic recognition effect, depending on a non-random distribution of protons and deuterons in the crystal hydrogen bridges, was also analyzed.


Subject(s)
Methacrylates/chemistry , Phenylbutyrates/chemistry , Phenylpropionates/chemistry , Crystallization , Dimerization , Hydrogen Bonding , Spectrophotometry, Infrared
13.
Dalton Trans ; 43(43): 16387-94, 2014 Nov 21.
Article in English | MEDLINE | ID: mdl-25247462

ABSTRACT

The influence of the charge and steric hindrance on the spin state of a series of four monomeric Fe(II) complexes derived from the tridentate ligands 2-(1H-benzoimidazol-2-yl)-1,10-phenanthroline (Hphenbi) and 2-(1H-benzoimidazol-2-yl)-9-methyl-1,10-phenanthroline (Hmphenbi) and their deprotonated forms (phenbi(-), mphenbi(-)) are investigated. The crystal structure and magnetic properties show that [Fe(Hphenbi)2](BF4)2·1.5C6H5NO2·H2O (1) and its neutral form [Fe(phenbi)2](0)·2CHCl3·H2O (2) are low-spin complexes at 400 K due to the strong ligand field imparted by the terpyridine-like ligand. In contrast, the steric hindrance induced by the methyl group in [Fe(Hmphenbi)2](BF4)2 (3) stabilizes the high-spin state of the Fe(II) ion at all temperatures. Application of a hydrostatic pressure of 0.43 GPa shows that3 displays incomplete thermal-induced spin crossover behaviour. However, upon deprotonation of the ligand the resulting neutral complex [Fe(mphenbi)2]·2CHCl3 (4) shows a complete two-step spin crossover behaviour at ambient pressure.

14.
Acta Crystallogr C Struct Chem ; 70(Pt 9): 847-51, 2014 Sep.
Article in English | MEDLINE | ID: mdl-25186355

ABSTRACT

The lupane triterpenoid betulonic aldehyde [also known as betulonal; systematic name: lup-20(29)-en-28-al-3-one, C30H46O2] is a product of betulin oxidation. Crystals were obtained from hexane [form (I)] and dimethyl sulfoxide [form (II)] solutions. Forms (I) and (II) are both orthorhombic. The molecular geometric parameters in the two forms are similar, but the structures are different with respect to the crystal packing. Polymorph (I) contains two independent molecules in the asymmetric unit, while polymorph (II) contains only one molecule, which has a disordered aldehyde group [the disorder ratio is 0.769 (4):0.231 (4)]. In each molecule, the six-membered rings have chair conformations, whereas the cyclopentane ring in each molecule adopts an envelope conformation. All the rings in the lupane nucleus are trans-fused. The extended structures of both polymorphs are stabilized by weak intermolecular C-H...O and van der Waals interactions. Weak intramolecular C-H...O interactions are also observed.


Subject(s)
Aldehydes/chemistry , Triterpenes/chemistry , Crystallization , Crystallography, X-Ray , Hydrogen Bonding , Molecular Structure
15.
Article in English | MEDLINE | ID: mdl-24001976

ABSTRACT

Synthetic, spectroscopy and mechanistic aspects of preparation of selected hydroxyquinolines and their analogues or derivatives contained methoxy, fluoro, chloro, carboxylic, carbodithioic and phosphinate or dioxaphosphinane groups were elaborated. The multinuclear NMR and five single crystal X-ray characteristics of the series of quinolines have been determined. The molecular orbitals of the selected hydroxyquinolines have been calculated by density functional theory. The X-ray and NMR studies of 8-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-5,7-dibromo-2-methylquinoline and 8-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-5-fluoro-2-methylquinoline indicate the appearance of anomeric effect.


Subject(s)
Hydroxyquinolines/chemistry , Magnetic Resonance Spectroscopy , Models, Chemical , Crystallization , Crystallography, X-Ray , Molecular Structure , Static Electricity , X-Ray Diffraction
16.
Article in English | MEDLINE | ID: mdl-24109421

ABSTRACT

In the title compound, C9H8N2O2S, the sulfamoyl -NH2 group is involved in inter-molecular hydrogen bonding with the sulfonamide O and quinoline N atoms. In the crystal, mol-ecules are linked into dimers via pairs of N-H⋯N hydrogen bonds, forming an R 2 (2)(10) motif. The dimers are further assembled into chains parallel to the b axis through N-H⋯O hydrogen bonds, generating a C(4) motif. The crystal packing is additionally stabilized by inter-molecular C-H⋯O inter-actions. The crystal studied was a non-merohedral twin with a domain ratio of 0.938 (2):0.062 (2). Density functional theory (DFT) calculations, at the B3LYP/6-31 G(d,p) level of theory, were used to optimize the mol-ecular structure and to determine inter-action energies for the title compound. The resulting inter-action energy is ∼4.4 kcal mol(-1) per bridge for the C(4) chain and ∼5.9 kcal mol(-1) per bridge for the R 2 (2)(10) motif.

17.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 5): o795-6, 2013 May 01.
Article in English | MEDLINE | ID: mdl-23723937

ABSTRACT

The asymmetric unit of the title compound, C30H48O2, contains two independent mol-ecules, the main difference between them being that the isopropenyl group is rotated by approximately 180°. In each mol-ecule, the fused six-membered rings have chair-chair-chair-chair conformations and the cyclo-pentane ring adopts an envelope conformation with the C atom bearing the hy-droxy-methyl group as the flap. All ring junctions are trans-fused. With the exception of one of the methyl groups adjacent to the C=O group, all the methyl groups are in axial positions. The isopropenyl group is equatorial and the hy-droxy-methyl group is in an axial orientation. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into chains along [010]. Weak intra-molecular C-H⋯O hydrogen bonds are also observed but the hy-droxy groups are not involved in hydrogen bonds.

18.
Molecules ; 18(4): 4526-43, 2013 Apr 17.
Article in English | MEDLINE | ID: mdl-23595090

ABSTRACT

A new series of betulin derivatives containing one or two pharmacophores bearing an acetylenic and carbonyl function at the C-3 and/or C-28 positions has been synthesized and characterized by ¹H- and ¹³C-NMR, IR, MS and elemental analyses. The crystal structure of 28-O-propynoylbetulin was determined by X-ray structural analysis. All new compounds, as well as betulin, were tested in vitro for their antiproliferative activity against human SW707 colorectal, CCRF/CEM leukemia, T47D breast cancer, and against murine P388 leukemia and Balb3T3 normal fibroblasts cell lines. Most of the compounds showed better cytotoxicity than betulin and cisplatin used as reference agent. 28-O-Propynoylbetulin was the most potent derivative, being over 500 times more potent than betulin and about 100 times more cytotoxic than cisplatin against the human leukemia (CCRF/CEM) cell line, with an ID50 value of 0.02 µg/mL.


Subject(s)
Antineoplastic Agents/chemical synthesis , Antineoplastic Agents/pharmacology , Cell Proliferation/drug effects , Triterpenes/chemical synthesis , Triterpenes/pharmacology , Animals , BALB 3T3 Cells , Cell Line, Tumor , Humans , Leukemia P388 , Magnetic Resonance Spectroscopy , Mice , Molecular Structure , Structure-Activity Relationship
19.
Article in English | MEDLINE | ID: mdl-24427044

ABSTRACT

THE TITLE COMPOUND (SYSTEMATIC NAME: 4-oxo-penta-noic acid), C5H8O3, is close to planar (r.m.s. deviation = 0.0762 Å). In the crystal, the mol-ecules inter-act via O-H⋯O hydrogen bonds in which the hy-droxy O atoms act as donors and the ketone O atoms in adjacent mol-ecules as acceptors, forming C(7) chains along [20-1].

20.
Article in English | MEDLINE | ID: mdl-24427053

ABSTRACT

In the crystal structure of the title compound, C4H9NO2, the O-H⋯N hydrogen bonds link the mol-ecules into supra-molecular chains extending along the b-axis direction. The conformation of the NOH group in the nearly planar (r.m.s. deviation = 0.0546 Å) ethyl aceto-hydroximate mol-ecule is trans to N=C.

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