Miracle-dz/UniFAR-FTUs huggingface dataset:
3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide

In the molecule of the title compound, C21H20BrN3O3, the pyrimidine ring is oriented at dihedral angles of 80.87 (3) and 15.99 (3)°, respectively, to the pyrimidine and bromophenyl rings. The dihedral angle between the two benzene rings is 88.37 (3)°. In the crystal structure, intermolecular N—H⋯O and O—H⋯N hydrogen bonds link the molecules. A π–π contact between pyrimidine and phenyl rings [centroid–centroid distance = 3.776 (3) Å] may further stabilize the structure. The methine H and the methyl C and H atoms are disordered over two positions and were refined with occupancies of 0.522 (13) and 0.478 (13).
5-(1H-Inden-2-yl)-1,3-benzodioxole

In the title compound, C16H12O2, the non-H atoms are coplanar with a mean r.m.s. deviation of 0.0260 (2) Å. The deviations of the bond angles from normal values at the indenyl junction C atom and the indenyl bridgehead C atom nearest the junction are imposed by the five-membered ring geometry. Due to conjugation, the single bond linking the two ring systems [1.455 (3) Å] is significantly shorter than the formal single bonds in the five-membered carbocyclic ring [1.500 (3) and 1.489 (3) Å].
Poly[(dimethylformamide)(μ4-2,2′-sulfanediyldibenzoato)nickel(II)]

The title centrosymmetric dinuclear NiII complex, [Ni(C14H8O4S)(C3H7NO)]n, was prepared via reaction of Ni(NO3)2·6H2O and thiosalicylic acid, with H2O and dimethylformamide (DMF) as the mixed solvent. The central NiII ion is five-coordinated by five O atoms from DMF and from the carboxylate groups of the organic ligand. The symmetry-related coordination polyhedra interlink into centrosymmetric dimeric units and these, in turn, are linked into infinite chains propagating parallel to [100].
4,7-Diphenyl-2,9-bis(trichloromethyl)-1,10-phenanthroline

In the title compound, C26H14Cl6N2, the phenanthroline ring system is essentially planar, with an r.m.s. deviation of 0.048 (6) Å, and makes dihedral angles of 64.8 (14) and 66.6 (6)° with the two terminal phenyl rings. One of the trichloromethyl groups is disordered over two positions, with occupancies of 0.42 (2) and 0.58 (2).
Tetra-μ-acetato-bis{[9-(pyrazin-2-yl)-9H-carbazole]copper(II)}

The title complex, [Cu2(CH3COO)4(C16H11N3)2], lies on an inversion centre, with four acetate ligands bridging two symmetry-related CuII ions and two monodentate 9-(pyrazin-2-yl)-9H-carbazole ligands coordinating each CuII ion via the N atoms of the pyrazine rings, forming slightly distorted square-pyramidal geometries. There are weak π–π stacking interactions between the pyrrole rings of symmetry-related molecules, with a centroid-to-centroid distance of 3.692 (2) Å.
2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene

The title compound, C20H16F4N2S2, is a flexible bisthiophene-type Schiff base ligand with a perfluorinated backbone. The terminal thiophene rings are almost normal to one another with a dihedral angle of 83.8 (2)°, and they are tilted to the central tetrafluorinated benzene ring with dihedral angles of 61.2 (2) and 77.7 (1)°. In the crystal, there are π–π interactions involving the benzene ring and the thiophene ring of a symmetry-related molecule with a centroid–centroid separation of 3.699 (3) Å.
2-[(4-Bromobenzylidene)amino]ethanol

In the crystal structure of the title compound, C9H10BrNO, molecules are linked via O—H⋯N hydrogen bonds of a moderate strength between the hydroxy groups and the imine N atoms. These hydrogen bonds, as well as the planes of the bromophenyl rings, are situated in alternating planes parallel to (013) and (0-13). In addition, there are weak C—H⋯π interactions in the structure.
1-Benzylidene-4-ethylthiosemicarbazide

The title compound, C10H13N3S, was prepared by the reaction of 4-ethylthiosemicarbazide and benzaldehyde. The dihedral angle between the benzene ring and the thiourea unit is 8.96 (7)° and an intramolecular N—H⋯N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N—H⋯S hydrogen bonds generate R 2 2(8) loops.
(Z)-4-[(2-Amino-4,5-dichloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

The molecule of the title compound, C23H18Cl2N4O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 32.61 (19), 76.73 (14) and 52.57 (19)° with the three benzene rings. The secondary amino group is involved in an intramolecular N—H⋯O hydrogen bond. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers. An offset stacking interaction is observed between the chloro-substituted benzene rings protruding on both sides of these dimers [centroid–centroid distance = 3.862 (1) Å].
Breastfeeding reduces procedural pain in infants: A review of the literature

Pain-induced stress in infants undergoing painful procedures, such as heelstick and venepuncture, has been found to cause both short and long term detrimental effects. Because it is not desirable for infants to have potent medicinal analgesia, researchers have sought other methods of pain relief that are effective. It has been found that breastfeeding during heelstick or venepuncture provides significant analgesia for infants. Maternal holding has also been found to offer some pain relief. This review looks at some of the studies that have revealed these findings.
A New All-Optical Signal Regeneration Technique for 10 GB/S DPSK Transmission System

The transmission of high power inside the optical fiber, produce amplitude noise, phase noise and other transmission impairments that degrade the performance of optical communication system. The signal regeneration techniques are used to mitigate these nonlinear impairments in the electrical or in the optical domain. All-optical signal regeneration techniques are one of the solutions to mitigate these nonlinear transmission impairments in the optical domain without converting the signal from optical to electrical domain. The existing techniques are not capable enough to attain the Bit Error Rate (BER) less than 10 -10 with the power penalty less than – 9dBm. In this paper, a new all-optical signal regeneration technique is developed that mitigate amplitude and phase noises in the optical domain. The new optical signal regeneration technique is developed by combining the two existing technique one is 3R (Reshaping, Reamplification and Retiming) regeneration and other is Phase Sensitive Amplification (PSA). The 10Gb/s Differential Phase shift Keying (DPSK) noisy transmission system is used to verify the features of developed technique. The developed technique successfully mitigates the nonlinear impairments from the noisy DPSK system with significant improvement in BER at low power penalty with the additional feature of high Q-factor and an eye open response for the regenerated signal. It is determined that BER of 10 -12 is achieved at the power penalty of -14 dBm with Q-factor of 42 and an eye opened response. The developed technique in the DPSK system is realized using commercial software package Optisystem. The designed technique will be helpful to enhance the performance existing high-speed optical communication by achieving the minimum BER at low power penalty.
10-Formyl-2,4,6,8,12-pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.03,11.05,9]dodecane

The title compound, C7H7N11O11 (PNMFIW), is a caged heterocycle substituted with five nitro and one formyl groups. It is related to the hexaazaisowurtzitane family of high-density high-energy polycyclic cage compounds. Four nitro groups are appended to the four N atoms of the two five-membered rings, while a nitro group and a formyl are attached to the two N atoms of the six-membered ring.
(3aR,8bR)-3a,8b-Dihydroxy-2-methylsulfanyl-3-nitro-1-phenyl-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

In the title compound, C18H14N2O5, the pyrrolidine ring adopts a shallow envelope conformation, with the C atom bearing the OH group (and remote from the N atom) displaced by 0.257 (2) Å from the other atoms. The cyclopentane ring has a twisted conformation about the C—C bond bearing one =O and one —OH grouping. The dihedral angle between the five-membered rings (all atoms) is 65.54 (9)° and the OH groups lie to the same side of the ring-junction. The molecular structure features a weak intramolecular O—H⋯O bond and a possible C—H⋯π interaction. In the crystal, the molecules are linked into [010] chains by O—H⋯O hydrogen bonds. Weak C—H⋯O bonds connect the chains into (100) sheets.
2-Methyl-1-(4-methylphenylsulfinyl)naphtho[2,1-b]furan

In the title compound, C20H16O2S, the 4-methylphenyl ring makes a dihedral angle of 82.60 (4)° with the mean plane [r.m.s. deviation = 0.007 (1) Å] of the naphthofuran fragment. In the crystal, molecules are linked by weak intermolecular C—H⋯O hydrogen bonds, and by a slipped π–π interaction between the central naphthofuran benzene rings of neighbouring molecules [centroid-to-centroid distance = 3.671 (2) Å, interplanar distance = 3.349 (2) Å and slippage = 1.503 (2)°].
Expanding the role of clinical pharmacists in community oncology practice results of implementation at the Jack ady Cancer Clinic

Increasing demand for cancer care services in the community setting is putting pressure on ambulatory cancer clinics to become more productive and efficient. Limited numbers of medical oncologists means that other healthcare professionals must work to their full scope of practice to enable oncologists to focus on activities only they can undertake. Oncology pharmacists have the potential to assume a greater role in patient care as part of multidisciplinary teams in the community setting. This study evaluates a pilot project undertaken at the Jack Ady Cancer Clinic (JACC) in Alberta to implement an expanded pharmacist role that included direct interaction with patients and greater integration into the care team. The primary objective was to improve use and results of antiemetics for patients undergoing cancer chemotherapy. One-year results of the nonrandomized study found that the new pharmacist role had a positive impact on the incidence and severity of chemotherapy-induced nausea and vomiting (CINV). The acceptability and sustainability of the increased pharmacist role were further assessed through workload analysis, as well as team member and patient surveys, and showed overwhelmingly positive reception of the new role by clinicians and patients. Results strongly support the benefits of an expanded role for clinical pharmacy services. Further research is needed on the impact of the expanded clinical pharmacist role on specific patient outcomes, continuity of care and costeffectiveness. 1,2,3
4-Methyl-N-(2-phenylethyl)-2-propyl-1H-benzimidazole-6-carboxamide

There are two independent molecules in the asymmetric unit of the title compound, C20H23N3O, in which the dihedral angles between the phenyl ring of the phenylethylamino group and the benzimidazole system are 73.98 (15) and 15.93 (16)°. The crystal packing features N—H⋯O and N—H⋯N hydrogen bonds.
2-Chloro-5-nitropyridin-4-amine

The title molecule, C5H4ClN3O2, possesses mirror symmetry, with all of the atoms lying in the mirror plane. There is an intramolecular N—H⋯O hydrogen bond involving the adjacent –NO2 and –NH2 groups. A short C—H⋯O interaction is also observed. In the crystal, adjacent molecules are linked via N—H⋯Cl and N—H⋯N hydrogen bonds, forming chains propagating along [100].
Poly[(μ4-5-bromopyridine-3-sulfonato)silver(I)]

The silver(I) complex, [Ag(C5H3BrNO3S)]n, was obtained by reaction of AgNO3 and 5-bromopyridine-3-sulfonic acid. The AgI ion is coordinated by an O3N donor set in a slightly distorted tetrahedral geometry. The AgI ions are linked by μ4-5-bromopyridine-3-sulfonate ligands, forming a layer parallel to (100). The layers are further connected via C—H⋯Br hydrogen-bonding interactions into a three-dimensional supramolecular network. The Ag⋯Ag separation is 3.0159 (6) Å, indicating the presence of argentophilic interactions.
2-(7-Methoxy-1-naphthyl)acetonitrile

The molecule of the title compound, C13H11NO, is almost planar (r.m.s. deviation = 0.013 Å), apart from the cyanide group, for which the C and N atoms deviate from the mean plane of the other atoms by 0.341 (3) and 0.571 (4) Å, respectively. In the crystal, weak aromatic π–π stacking [centroid–centroid distance = 3.758 (3) Å] may help to stabilize the structure.
Is there a relationship between hip muscle strength, function and physical activity levels in hip osteoarthritis?

INTRODUCTION Osteoarthritis (OA) is a common progressive musculoskeletal condition of the joint organ reportedly affecting around 1.6 million Australians (7.8% of the population) [1]. After the knee, the hip is the second joint most commonly affected by OA [2] and it is often associated with symptoms of pain, stiffness, muscle weakness [3], reduced gait speed [4] and other functional limitations. Hip OA has a higher prevalence in older adults with more than 51.4% of the people affected being over the age of 65 years old [1]. The Physical Activity Guidelines for Older Australians recommend that older adults should accumulate at least 30 minutes of moderate intensity physical activity on most and preferably all days of the week (http://www.health.gov.au/internet/main/publishing.nsf/Cont ent/health-pubhlth-strateg-phys-act-guidelines#rec_older – accessed 09/02/2013). Physical activity is important in combating the increasing prevalence of obesity [5] which is also thought to be a risk factor for progression of hip OA [6]. Increasing age and body mass index were found to be negatively associated with physical activity levels in the end-stages of hip OA [7]. Reduced physical activity as a result of hip OA [7] may thus increase the risk of obesity and subsequently the progression of OA and leading to further functional limitations. Although lower limb muscle weakness is one of the symptoms associated with hip OA we do not know if there is a relationship to the physical activity levels in individuals with hip OA. Improving hip OA symptoms such as pain and muscle weakness may enable individuals with the disease to increase their physical activity to the recommended levels, maintain a healthy body weight and subsequently slow the progression of the disease. The purpose of this cross-sectional cohort study was to identify if there is a relationship between hip muscle strength, function and physical activity levels in individuals with hip OA and if so characterize that relationship. We hypothesized that there would be a positive relationship between strength and stair climbing ability and a positive relationship between lowerlimb muscle strength and time spent in light to moderate physical activity levels in the hip OA group.
2-[4-(Diethylamino)benzylidene]malononitrile

In the title compound, C14H15N3, the diethylamino N atom, benzene ring, olefinic bond and cyano groups form an extended conjugated system, making the molecule nearly planar: the dihedral angle between the benzene ring and the best plane throught the cyano groups is 4.93 (10)°, while the dihedral angle between the benzene ring and the plane through the diethylamino N atom and the two attached ethyl C atoms is 9.51 (14)°. In the crystal, intermolecular C—H⋯π interactions stabilize the packing.
Poly[[μ2-1,3-bis(imidazol-1-ylmethyl)benzene][μ2-2,2′-dihydroxy-1,1′-methylenebis(naphthalene-3-carboxylato)]zinc]

In the title compound, [Zn(C23H14O6)(C14H14N4)]n, the ZnII ion is four-coordinated in a distorted tetrahedral geometry. The 1,3-bis(imidazol-1-ylmethyl)benzene and 2,2′-dihydroxy-1,1′-methylenebis(naphthalene-3-carboxylate) ligands connect the ZnII ions alternately in different directions, forming a layered structure parallel to the ac plane. Topological analysis reveals that the whole structure is a (4,4) network. The layers are further assembled into a three-dimensional supramolecular structure via C—H⋯O and C—H⋯π interactions.
(E)-1-(2-Nitroethenyl)naphthalene

The title molecule, C12H9NO2, adopts a trans configuration about the olefinic double bond. The dihedral angle between the naphthalene ring system (r.m.s. deviation = 0.012 Å) and the nitroethenyl group (r.m.s. deviation = 0.032 Å) is 12.66 (5)°. The molecules are linked into a two-dimensional network parallel to the bc plane by C—H⋯O hydrogen bonds. The substituted benzene rings in adjacent networks are stacked with a centroid–centroid distance of 3.6337 (11) Å, indicating π–π interactions.
5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one

The title compound, C13H16N2O3S, consists of two crystallographically independent molecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both molecules, the pyrazole rings are approximately planar, with maximum deviations of 0.017 (2) and 0.010 (2) Å, and the dihedral angles between the pyrazole and phenyl rings are 83.63 (11) and 70.07 (12)°. In one molecule, an intramolecular C—H⋯O hydrogen bond with an S(6) ring motif is observed. In the crystal, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link the molecules into two-dimensional networks parallel to the ab plane.
{3,3′,5,5′-Tetramethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)

The title square-planar nickel complex, [Ni(C20H22N2O6)], has Ni—N and Ni—O bond lengths of 1.8448 (14)/1.8478 (14) and 1.8536 (12)/1.8520 (12) Å. There is a slight twist in the two benzene rings at each end of the complex [dihedral angle = 11.11 (5)°]. All the atoms of the methoxy substitutents are in the plane of the ring to which they are attached except for one which deviates slightly [0.365 (3) Å]. In the crystal, weak C—H⋯O intermolecular interactions connect the molecules.
1,2-Bis(4-nitrobenzyl)diselane

The title compound, C14H12N2O4Se2, is not chiral, but the molecules assume a chiral conformation in the solid state and crystallize as an aggregate. The central C—Se—Se—C torsion angle is 90.4 (2)°, while the two Se—Se—C—C fragments assume gauche conformations with values of −59.4 (5) and 67.5 (4)°. The dihedral angle between the two benzene rings is 80.74 (14)°.
Poly[tetraaqua(μ4-benzene-1,3,5-tricarboxylato)sodium(I)zinc(II)]

In the title compound, [NaZn(C9H3O6)(H2O)4]n, the ZnII atom is six-coordinated by four O atoms from two different benzene-1,3,5-tricarboxylate anions and two water O atoms in a distorted tetragonal-bipyramidal geometry and the NaI atom is five-coordinated by three O atoms from three different benzene-1,3,5-tricarboxylate anions and two water O atoms in a distorted trigonal-bipyramidal geometry. The benzene-1,3,5-tricarboxylate anion bridges two ZnII atoms and two NaI atoms, resulting in the formation of a two-dimensional layer structure. Intermolecular O—H⋯O hydrogen-bonding interactions generate a three-dimensional superamolecular structure.
4,5,6,7-Tetrachloro-N-(2-fluorophenyl)phthalimide

In the title compound, C14H4Cl4FNO2, the benzene ring and the phthalimide plane are nearly planar, the maximum deviations being 0.005 (2) and 0.010 (2) Å, respectively, but the molecule as a whole is not planar: the dihedral angle between the two planar ring systems is 68.06 (10)°. A short Cl⋯O contact of 2.914 (2) Å exists in the crystal structure.
Diaquabis{5-carboxy-2-[(1H-1,2,4-triazol-1-yl)methyl]-1H-imidazole-4-carboxylato}manganese(II)

In the title compound, [Mn(C8H6N5O4)2(H2O)2], the MnII ion is situated on an inversion center and is six-coordinated by two N and two O atoms from two L ligands (HL = 2-[(1H-1,2,4-triazol-1-yl)methyl]-1H-imidazole-4,5-dicarboxylic acid) and two water molecules in a distorted octahedral geometry. In ligand L, the imidazole and triazole rings form a dihedral angle of 74.25 (8)°. Molecules are assembled into a three-dimensional structure via intermolecular O—H⋯O, O—H⋯N and N—H⋯N hydrogen-bonds, and π–π interactions with a short distance of 3.665 (2) Å between the centroids of the imidazole and triazole rings of neighbouring molecules.
Dinitrosylbis[tris(4-chlorophenyl)phosphane]iron

The title dinitrosyl iron diphosphane complex, [Fe(NO)(2)(C(18)H(12)Cl(3)P)(2)] or Fe(NO)(2)L(2) [L = P(C(6)H(4)-p-Cl)(3)] belongs to the family of metal dinitrosyl compounds with the general formula Fe(NO)(2)(L)(x), referred to collectively as dinitrosyl iron compounds (DNICs). The iron atom is tetra-hedrally coordinated by two phosphane ligands and two NO groups with Fe-N-O bond angles of 178.76 (15) and 177.67 (14)°.
3-(4-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

The title compound, C16H13FO2, was prepared from 4-methoxyhypnone and 4-fluorobenzophenone by Claisen–Schmidt condensation. All the bond lengths and bond angles are in normal ranges. The dihedral angle formed by the two benzene rings is 33.49 (2)°. The crystal packing is stabilized by intermolecular C—H⋯O hydrogen-bonding interactions.
5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

The title compound, C15H18N4O7, is a product of the substitution reaction of 5,5-dibromo-1,3-dimethylbarbituric acid with sodium sulfide in aqueous acetone. In the crystal, molecules display neither intermolecular nor intramolecular hydrogen bonding and the two barbiturate rings adopt the keto form.
1,2,3-Trimethoxy-4,5,6-trinitrobenzene

In the title molecule, C9H9N3O9, the three neighbouring nitro groups are tilted with respect to the benzene mean plane by 75.8 (1), 27.7 (1) and 68.1 (1)°. The methyl C atoms of the three neighbouring methoxy groups deviate from this plane by 0.976 (4), −1.425 (4) and 0.632 (4) Å. The crystal packing exhibits weak C—H⋯O interactions.
4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole

In the crystal structure of the title compound, C12H10N6, the molecules deviate slightly from planarity. The plane of the central triazole ring makes angles of 6.13 (9) and 3.28 (10)° with the pyridyl ring planes. Intramolecular N—H⋯N interactions form six-membered closed rings. The crystal packing also shows weak C—H⋯π and C—H⋯N interactions.
AchievingOut-of-OrderPerformancewithAlmostIn-OrderComplexity

There is still much performance to be gained by out-of-order processors with wider issue widths. However, traditional methods of increasing issue width do not scale; that is, they drastically increase design complexity and power requirements. This paper introduces the braid, a compile-time identified entity that enables the execution core to scale to wider widths by exploiting the small fanout and short lifetime of values produced by the program. Braid processing requires identification by the compiler, minor extensions to the ISA, and support by the microarchitecture. The result from processing braids is performance within 9% of a very aggressive conventional out-of-order microarchitecture with almost the complexity of an in-order implementation.
Age Estimation from Epiphyseal Fusion of Ischial Tuberosity

Radiological technique is most reliable and informative of all the available methods for assessing age i.e. physical development, secondary sex characters, height and weight measurement, eruption of teeth, especially in the young. Anatomical method and Haversian canal technique for determination of age of an individual are, however, obsolete now a days. External inspection of the dead permits only an approximate estimate of age and it is liable to error by upto 10 years in adults.
Voice-over-IP-over-wireless

The IP-technology is gaining momentum and it seems inevitable that future wireless telephony services will be based on IP-technology. However, in order for this to become reality a number of issues must be solved. In this paper we present solutions-header compression and traffic classification-and figures indicating that for WCDMA, voice over IP can be competitive with traditional circuit switched speech services.