Miracle-dz/UniFAR-FTUs huggingface dataset:
3-(2-Pyridyl)-5-(4-pyridyl)-4-(p-tolyl)-1H-1,2,4-triazole

In the molecule of the title compound, C19H15N5, the dihedral angles formed by the plane of the triazole ring with those of the 2-pyridyl, 4-pyridyl and p-tolyl rings are 28.12 (10), 34.62 (10) and 71.43 (9)°, respectively. The crystal structure is consolidated by C—H⋯π hydrogen-bonding interactions and by π–π stacking interactions, with a centroid–centroid distance of 3.794 (4) Å.
Aquabromidobis(dimethylglyoximato)cobalt(III)

In the title complex, [CoBr(C4H7N2O2)2(H2O)], a crystallographic mirror plane bisects the molecule, perpendicular to the glyoximate ligands. The geometry around the cobalt(III) atom is approximately octahedral with the four glyoximate N atoms forming the square base. A bromide ion and the O atom of a water molecule occupy the remaining coordination sites. The N—Co—N bite angles are 82.18 (4) and 80.03 (16)°. The glyoximate moieties form strong intramolecular O—H⋯O hydrogen bonds. The coordinated water molecule forms an intermolecular O—H⋯O hydrogen bond with a glyoximate O atom, thereby generating supramolecular chains parallel to [010].
(E)-2-[4-(Trifluoromethoxy)benzylidene]indan-1-one

In the title compound, C17H11F3O2, the dihydroindene ring is approximately planar with a maximum deviation of 0.024 (2) Å and makes a dihedral angle of 3.17 (8) Å with the adjacent benzene ring. In the crystal, molecules are interconnected by C—H⋯O interactions, forming an infinite chain along the c axis.
Who Done It? Rurality vs. SES as Critical Factors in Evaluating the Prevalence of Child Psychosocial Concerns in Primary Care

The purpose of this study was to evaluate the prevalence of child psychosocial concerns in rural primary care, hypothesized to be greater than national averages due to lacking mental health services in rural areas. This study was an examination of the role of SES, various definitions of “rural,” and the interaction of SES and rurality, in predicting parent-reported child psychosocial concerns in Appalachian primary care clinics. Caregivers presenting with their child at one of 8 pediatric primary care sites (n=2,672) were recruited to complete a measure assessing demographics and the Pediatric Symptom Checklist (PSC). Results showed that while rural status was not associated with PSC scores, higher parental education was associated with lower rates of clinically significant psychosocial concerns. The present study failed to replicate prior preliminary findings that child psychosocial concerns are more prevalent in rural primary care. SES, rather than rurality, appeared to be the primary predictor of such concerns.
4-Methoxy-N-(4-methoxy-2-nitrophenyl)benzamide

In the title compound, C15H14N2O5, the central amide C—C(=O)—N—C unit forms dihedral angles of 28.17 (13) and 26.47 (13)° with the two benzene rings, whereas the two benzene rings are almost coplanar, making a dihedral angle of 4.52 (13)°. The two methoxy and the nitro substituents are almost coplanar with their attached benzene rings, with C—O—C—C torsion angles of −1.3 (4) and −4.6 (4)°, and an O—N—C—C torsion angle of 17.1 (3)°. In the crystal, molecules are linked via C—H⋯O and N—H⋯O interactions, forming a tape running along the b axis.
[1,3-Bis(2-ethoxyphenyl)triazenido]chloridomercury(II)

In the title compound, [Hg(C16H18N3O2)Cl], the HgII atom is four-coordinated in a tetrahedral geometry by two N atoms from the 1,3-chelating and one O atom of a 1,3-bis(2-ethoxyphenyl)triazenido ligand and one terminal chloride ion. The dihedral angle between the aromatic rings is 1.72 (14)°. In the crystal C—H⋯π stacking interactions occur.
Multi Drug Resistant Staphylococcus pseudintermedius isolates from Canine Pyoderma

Staphylococcus pseudintermedius is an important opportunistic pathogen of companion animals, especially dogs. Four dogs with a long-term inflammatory skin disorder due to infection with methicillin-resistant Staphylococcus pseudintermedius (MRSP) are described. Bacteria was isolated from the skin swab samples from diseased animal and characterized with the different biochemical test and identification strips. Antibiotic resistance pattern has been examined. All strains were shown multidrug resistance pattern and found sensitive only for Amikacin. Staphylococcus pseudintermedius was also found coagulase positive and methicillin resistant strain.
6-Hydroxysalvinolone1

The title compound {systematic name: 5,6,10-trihydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a-tetrahydrophenanthren-9(1H)-one}, C20H26O4, is a diterpenoid which was isolated from the roots of Premna obtusifolia. The molecule has three fused six-membered rings; the cyclohexane ring is in a twisted-boat conformation and the cyclohexene ring adopts a sofa form. Intramolecular O—H⋯O hydrogen bonds generate two S(5) ring motifs. In the crystal, molecules are linked into infinite one-dimensional chains along the [001] direction by O—H⋯O hydrogen bonds and weak C—H⋯O interactions.
2-{[4-(Diethylamino)phenyl]iminomethyl}-4,6-diiodophenol

In the title compound, C17H18I2N2O, the dihedral angle between the aromatic rings is 5.4 (1)°. An intramolecular O—H⋯N hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by C—H⋯π and π–π interactions [centroid–centroid distance = 3.697 (1) Å].
Relationship between Violence during Pregnancy and Postpartum Depression

Background: Due to the lack of evidence in relation to violence against pregnant women, particularly in developing countries, this study was conducted to determine the relationship between violence during pregnancy and postpartum depression in Marivan, western Iran. Methods: 240 women between 15 and 40 years at the last month of their pregnancy were selected and divided into two groups: those experiencing violence and those without and matched for age, education, occupation of their own and their husbands’, income, marital status, parity and desired or unwanted pregnancy. They were followed 2 to 6 weeks after delivery. Participants were Iranian Kurd, literate and singleton with no known pregnancy complications and depressive disorder in their lifespan. Demographic and obstetrical characteristics, Edinburg’s postpartum depression, violence in three domains of physical, sexual, and emotional were recorded in a questionnaire. Results: Mean age of subjects was 26.02±5.53 years mostly in primary educational level and were housewives. The scores of Edinburg’s questionnaire ranged from 0 to 27 (8.25±6.82) and 34.2% (82 women) of them obtained score 10 or more. The frequency of postpartum depression was 52.5% and 15.8% in women experiencing violence and those without, respectively. A significant relationship was found between domestic violence and postpartum depression (p<0.001) and the estimation of relative risk of depression with 95% confidence interval was between 2.1 and 5.1 (RR=3.3). Conclusion: Based on adverse effects of violence during pregnancy in this study, a routine screening at perinatal clinics is suggested to identify at-risk cases and provide necessary health services.
4-Ethoxy-N-(3-phenylprop-2-enylidene)aniline

The title compound, C17H17NO, was prepared by the condensation of cinnamaldehyde with p-phenetidine in ethanol. The prop-2-enylidene group exhibits an E configuration at the N=C and C=C double bonds, with C—N—C—C and C—C—C—C torsion angles of −179.9 (3) and −175.9 (3)°, respectively. The prop-2-enylidene group is not strictly planar [maximum deviation = 0.054 (4) Å] and forms dihedral angles of 28.0 (3) and 34.9 (3)° with the attached aromatic rings.
2-Methoxy-4-(2-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

In the title compound, C20H22N2O2, the central pyridine ring forms a dihedral angle of 76.32 (8)° with the pseudo-axial benzene ring. The cyclooctane ring adopts a twisted boat chair conformation. In the crystal, weak intermolecular C—H⋯π interactions between inversion-related molecules result in the formation of linear double chains along the b-axis direction.
4β-Hydroxy-12,13-epoxytrichothec-9-ene

The asymmetric unit in the crystal of the title compound, C15H22O3, contains two independent molecules with similar structures. Each molecule contains two six-membered rings and one five-membered ring. The five-membered ring displays an envelope conformation with the C atom linking the epoxy group as the flap, while the two six-membered rings show half-chair conformations. The two independent molecules are linked by an O—H⋯O hydrogen bond. These dimers are further linked by O—H⋯O hydrogen bonds, forming supramolecular chains running along the a axis.
7-Bromo-2-(4-methylphenyl)-1-(methylsulfinyl)naphtho[2,1-b]furan

In the title compound, C20H15BrO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.030 (2) Å] of the naphthofuran ring system and the 4-methylphenyl ring is 38.49 (9)°. In the crystal, molecules are linked by C—H⋯π and C—Br⋯π [3.871 (2) Å] interactions into stacks along the b-axis direction. These stacks are further linked by weak C—H⋯O hydrogen bonds, forming a three-dimensional network.
(E)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide

In the crystal structure of the title compound, C9H10ClN3S, the molecules form chains parallel to [001] through N—H⋯S hydrogen bonds. In addition, weak intermolecular N—H⋯Cl hydrogen bonds connect the chains, forming a two-dimensional network parallel to (001).
(E)-2-(2-Nitroprop-1-enyl)furan

Crystals of the title compound, C7H7NO3, under Mo Kα radiation sublime in less than 1h at room temperature. However, it was possible to collect data at 100K. It crystallized as the E isomer only. A double-bond conjugation in the furan ring is extended to the nitroalkenyl group. Molecular associations were realized in the crystal through N⋯π [3.545 (2) Å] interactions involving the furan ring and C—H⋯O hydrogen bonds.
1-Ethyl-5-iodoindoline-2,3-dione

There are two independent molecules in the asymmetric unit of the title compound, C10H8INO2, which differ in the degree of planarity. The iodoindoline-2,3-dione skeleton of molecule 1 is essentially planar [mean deviation = 0.003 (2) Å for the nine non-H atoms of the indoline core, with a maximum deviation of 0.033 (1) Å for the I atom]. The I atom and O atom in the 3-position of molecule 2 deviate by 0.195 (1) and 0.120 (2) Å, respectively, from the least-squares plane through the nine non-H atoms of the indoline core. Molecules 1 and 2 are roughly coplanar, the mean planes through their cores making a dihedral angle of 6.84 (1)°. This coplanarity results in a layer-like structure parallel to (6,11,17) in the crystal, the distance between adjacent least-squares planes through the cores of molecules 1 and 2 being 3.37 (1) Å. In such a layer, molecules 1 and 2 are linked by C—H⋯O hydrogen bonds, forming chains along [11-1]. The chains are further coupled to construct a kind of double-chain structure via I⋯O interactions [3.270 (2) Å].
1-(Bromomercurio)ferrocene

The asymmetric unit of the title compound, [Fe(C5H5)(C5H4BrHg)], contains two independent molecules, A and B, in which the Hg—C bond lengths are 2.045 (6) and 2.046 (6) Å, the Hg—Br bond lengths are 2.4511 (9) and 2.4562 (7) Å, and the C—Hg—Br angles are 176.42 (17) and 177.32 (17)°. The two cyclopentadienyl rings of molecule A are eclipsed, while those of molecule B are almost staggered. The HgBr groups are connected by intermolecular Hg⋯Br contacts of 3.3142 (9)–3.4895 (11) Å, forming layers parallel to (001). These layers contain both four-membered (HgBr)2 and eight-membered (HgBr)4 rings. Ferrocene–ferrocene C—H⋯π contacts connect the molecular layers along the c-axis direction.
An Analysis of the Survival times of the Patients with AML (Acute Myeloid Leukemia) using Cox Proportional Hazard Model with changing form of the Hazard Function

Survival pattern can be conveniently inspected with the help of hazard function. Thus, it is often informative to examine the hazard function when time to response data is being analyzed. In this study Cox proportional hazard model is fitted to patient data of Acute Myeloid Leukemia. The natural log of the hazard function is the response and two of the explanatory variables age and cellularity level of the patient. Three different forms of the hazard rates are incorporated in the hazard function and are tried out as response. The fitted model based on three different hazard function revealed, that estimates of the regression coefficients and their relevant standard error are quit close when h2(t) and h3(t) are used as hazard rate. Both reflect positive but insignificant effect for the two explanatory variables, while h1(t) is giving misleading results. AML patient of age 50 years are below have marginal risk of 12.57% and that for the cellularity of 100% or less it.
Self-esteem, oral health behaviours, and clinical oral health status in Chinese adults: An exploratorystudy

Objectives: This is an exploratory study to examine the relations among self-esteem, oral health behaviours and clinical oral health status in Chinese adults. In addition, gender differences in clinical oral health status and oral health behaviours were explored. Methods: Participants were 192 patients from a private dental clinic in Hong Kong aged between 18 and 67 years. Prior to oral health examination, participants completed a questionnaire about their oral health behaviours and the Rosenberg’s Self-Esteem Scale. A dentist and a registered dental hygienist examined their tooth condition and clinical oral health status. Results: Participants with high self-esteem had better clinical oral health status than participants with low self-esteem despite no difference in their oral health behaviours. Male participants flossed less frequently than female participants but there was no difference in their clinical oral health status. Linear regression analyses showed that only self-esteem was, but gender, age, and tooth conditions were not, a significant predictor of clinical oral health status. Conclusions: In general, Chinese adults in Hong Kong had satisfactory oral health behaviours. Chinese adults with high self-esteem had better clinical oral health status than those with low self-esteem. However, oral health behaviours did not differ by level of self-esteem. Implications for implementing psychosocial elements in oral health education were discussed.
Towards tailored mobile mental wellness training programs : a case study of the effects of health complaints

Background: Neck problems, tiredness, depression and other mental health problems are nowadays very common. Many people have difficulties addressing their health problems because they don’t have the motivation or ability to change their attitudes and behaviours. It would be important to offer them help and tools so that they would be able to take care of themselves better and improve their well-being. All sorts of technical equipment such as PC’s, laptops, tablets, and mobile phones have become part of people’s everyday life. There is a lot of potential to use these different technical devices as a tool for providing personal wellbeing programs and applications. These include games, social media and personal health applications. The Aim of the Study: The aim of this thesis is to study if tailoring a general mobile mental wellness training application for stress management is possible and how it could be done to meet the needs of people who suffer from certain kinds of complaints. It was proposed that if the mobile mental wellness training program would be tailored to offer help for a certain complaint that a person suffers, it would improve user experience and person’s wellbeing. Methods: This research was an empirical case study. Theoretical part of this study provides a review of articles and other relevant literature. Empirical part of this study consisted of a large questionnaire conducted for the students and employees of the University of Oulu (N=756) as well as user studies conducted for a smaller number of people (N=30) selected based on certain criteria. The user study participants were divided into three different groups according to their complaints: tiredness, depression, and neck problems group. These three complaints were top three according to the results of the background questionnaire. The user study consisted of a user experience study made in laboratory settings as well as a field trial period where the participants used the application independently and their actions were logged. The users were guided to use exercises that were expected to help them with their complaints. User tests were video recorded to prevent data loss. Findings: The results showed that there weren’t big differences in user experience of the application between different complaint groups. User experience of the application was seen quite positive, but some issues made usage unpleasant, e.g. the application was mentioned being boring. Use of the application did not have an effect on people’s wellbeing. However the two-week long test period did not seem to be long enough. On the other hand, results also showed that people usually suffer from many different complaints at the same time so it is not easy to set people under certain complaint group and tailor health application very specifically for one complaint at time.
3-Acetyl-1-(4-methylphenyl)thiourea

The asymmetric unit of the title compound, C10H12N2OS, contains two independent molecules. In both molecules, the conformations of the two N—H bonds are anti to each other. Furthermore, the conformations of the amide C=S bonds and the C=O bonds are anti to each other. The dihedral angles between the benzene ring and the side chain are 52.8 (1) and 68.0 (1)° in the two independent molecules. An intramolecular N—H⋯O hydrogen bond occurs in both independent molecules. In the crystal, molecules are linked into infinite chains along the a axis through a series of N—H⋯O and N—H⋯S hydrogen bonds.
2-(2,4-Difluorophenyl)-5-nitropyridine

In the title molecule, C11H6F2N2O2, the benzene and pyridine rings form a dihedral angle of 32.57 (6)°. The nitro group is tilted with respect to the pyridine ring by 12.26 (9)°. An intramolecular C—H⋯F hydrogen bond is present. In the crystal, molecules interact through π–π stacking interactions [centroid–centroid distances = 3.7457 (14) Å], forming columnar arrangements along the b axis. The crystal packing is further enforced by intermolecular C—H⋯O and C—H⋯N hydrogen bonds.
1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol

In the title compound, C10H9F2N3O, the dihedral angle between the mean planes of the triazole and benzene rings is 20.6 (2)°. In the crystal, molecules are linked by strong O—H⋯ N hydrogen bonds into chains with graph-set notation C(9) along [100]. Weak C—H⋯N and C—H⋯F interactions are also observed.
Experimental Evaluation of Multiscale Behavior of Human Bone

iii ACKNOWLEDGMENTS. iv DEDICATION. vi LIST OF TABLES.xiii LIST OF FIGURES. xv LIST OF ABBREVIATIONS. xix LIST OF APPENDIX FIGURES. xxii CHAPTER
3-Bromo-7-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole

In the title molecule, C16H11BrN2OS, the central imidazo[2,1-b][1,3]benzothiazole tricycle is essentially planar (r.m.s. deviation = 0.021 Å). The terminal phenyl ring is twisted at 36.18 (5)° from the mean plane of the tricycle. In the crystal, pairs of eak C—H⋯O hydrogen bonds link molecules into centrosymmetric dimers, which are further packed into stacks along the a axis.
2-Methyl-4-nitrophenol

The molecule of the title compound, C7H7NO3, is nearly planar [maximum deviation 0.112 (3) Å for one of the notro O atoms]. In the crystal structure, intermolecular O—H⋯O and C—H⋯O interactions link the molecules into a three-dimensional network.
1-(4-Benzyloxy-5-methoxy-2-nitrophenyl)ethanone

In the molecule of the title compound, C16H15NO5, the aromatic rings are oriented at a dihedral angle of 74.89 (3)°. Intramolecular C—H⋯O interactions result in the formation of a seven-membered ring. In the crystal structure, weak intermolecular C—H⋯O interactions link the molecules into chains along the b axis.
An Assessment of Epithelial and Mesenchymal Phenotypes in Experimental and Clinical Pulmonary Fibrosis

Epithelial injury has been implicated as a driving factor for the pathogenesis of idiopathic pulmonary fibrosis (IPF). In this study we investigated changes in epithelial and mesenchymal markers in experimental models of fibrosis and associated this with IPF. TGFβ1 induced an epithelial to mesenchymal transition (EMT) phenotype in A549 cells and normal human bronchial epithelial cells, with A549 cells exhibiting a more profound transition to a mesenchymal phenotype. TGFβ1 overexpression in the lungs of mice resulted in an early increase in mesenchymal cell markers and apoptotic genes that preceded collagen deposition, suggesting an early epithelial injury triggers the downstream fibrotic response. In contrast, bleomycin had a gradual increase in mesenchymal cell marker and a decrease in E-cadherin expression that correlated with collagen protein deposition. Finally, we compared normal healthy lung tissue with surgical lung biopsies from IPF patients and observed alterations in epithelial and mesenchymal cell markers, as well as an increase in the apoptotic marker GSK3β. Interestingly, the mesenchymal changes were more profound in rapidly progressive patients in comparison to IPF patients with slowing progressing disease. In summary, this study provides evidence of alterations in epithelial and mesenchymal markers in experimental models of lung fibrosis and how these findings are relevant to clinical disease.
(E)-5-(3,5-Dimethylphenyl)-N-[4-(methylsulfanyl)benzylidene]-1,3,4-thiadiazol-2-amine

The title compound, C18H17N3S2, was synthesized by the reaction of 5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine and 4-(methylsulfanyl)benzaldehyde. An intramolecular C—H⋯S hydrogen bond results in the formation of a planar (r.m.s. deviation = 0.003 Å) five-membered ring. In the crystal structure, intermolecular C—H⋯N hydrogen bonds link the molecules to form layers parallel to (011).
Ratings of female genital attractiveness pre- and post-genital cosmetic surgery differ by age and gender

Abstract. To understand how genital self-image affects sexual well-being, it is important to consider its influence on sexual function and distress. It is also important to learn what type of genital appearance is considered visually appealing to men and women, and whether genitalia modified by cosmetic surgery are judged as more attractive compared to unmodified genitalia. The present study assessed women‘s genital self-image, sexual functioning and sexual distress in order to elucidate the relationship between these three elements of sexual well-being. Additionally, genital photographs were presented to men and women in order to assess conceptions of female genital attractiveness relative to surgical status (i.e. before and after). Four hundred and seventy-six women ( M age = 24.38) completed online questionnaires to assess genital self-image, sexual satisfaction, functioning and distress. The female sample along with 429 men ( M age = 27.47) also