Miracle-dz/UniFAR-FTUs huggingface dataset:
Mixed-approach algorithms for transitive closure (extended abstract)

We study two different approaches for computing the transitive closure of a directed graph and show that, in some sense, they are “dual” on edge-reversed graphs but, nevertheless, can differ asymptotically in cost on the same family of graphs. We show how the two approaches can be mixed into a new algorithm using reachability trees. We show that the new algorithm is o(~(~,yj~vxv CON~(Z, y)) where COMV(z, y) is the pairwise connectivity of z and y, and give a more exact connectivity-based upper bound that is better than the lower bound for a wide class of other algorithms on every family of graphs.
Spiro[1,3-dioxolane-2,4'-[8]phenylsulfonylbicyclo[4.2.0]octan-1-ol]

The structure of the title compound, C16H20O5S, has been determined as part of an investigation into the synthesis of fused carbocyclic ring systems with functionality and containing a cyclo­butanol ring. The conformational arrangement of the phenyl ring permits the formation of an infinite chain of intermolecular O—H⋯O—S hydrogen bonds. The dioxolane ring is removed from and does not participate in the chain of intermolecular hydrogen bonds.
Aqua{4,4′,6,6′-tetrafluoro-2,2′-[(piperazine-1,4-diyl)dimethylene]diphenolato}copper(II)

In the title compound, [Cu(C18H16F4N2O2)(H2O)], the CuII atom shows a distorted square-pyramidal coordination geometry with the N,N′,O,O′-tetradentate piperazine–diphenolate ligand forming the basal plane. The apical site is occupied by the O atom of a coordinated water molecule. Neighbouring complexes are associated through intermolecular O—H⋯O and O—H⋯F hydrogen bonds between the water molecule and a phenolate O atom or an F atom from an adjacent ligand, respectively, forming a centrosymmetric dimer. Dimers are linked by additional intermolecular C—H⋯O and C—H⋯F hydrogen bonds, giving infinite chains propagating along the a axis.
1-(2-Hydroxyethyl)-3-(3-methoxyphenyl)thiourea

In the title compound, C10H14N2O3S, the 3-methoxyphenyl unit is almost planar, with an r.m.s. deviation of 0.013 Å. The dihedral angle between the benzene ring and the plane of the thiourea unit is 62.57 (4)°. In the crystal, N—H⋯O and O—H⋯S hydrogen bonds link the molecules into a three-dimensional network.
1-[(6-Chloro-3-pyridyl)methyl]-N-(4-ethoxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide

In the title compound, C24H21ClN4O2, the pyrazole ring makes dihedral angles of 7.70 (11), 89.17 (11) and 40.68 (11)° with the phenyl, pyridine and ethoxyphenyl rings, respectively. There are some intramolecular C—H⋯O and C—H⋯π bonds giving rigidity to the molecule, while weak intermolecular N—H⋯N and C—H⋯π hydrogen bonds link the molecules into a two-dimensional structure.
11-[1-(4-Methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.01,10.02,7]hexadeca-2(7),3,5-triene-9,13-dione

In the title compound, C30H27N3O6, the furan and pyrrolidine rings adopt envelope conformations (with C and N atoms as the flaps, respectively). The piperidine ring is in a distorted boat conformation. The β-lactam ring is planar [maximum deviation = 0.0044 (16) Å] and forms dihedral angles of 30.61 (9) and 85.51 (9)°, respectively, with the attached methoxyphenyl and phenoxy rings. The crystal packing is stabilized by N—H⋯O and C—H⋯O interactions forming R 2 2(8), R 2 2(20) and R 2 2(14) ring motifs. The crystal structure is further consolidated by weak C—H⋯π interactions.
5-Ethyl-2-(4-fluorophenyl)-4-phenoxy-1H-pyrazol-3(2H)-one

In the title compound, C17H15FN2O2, the essentially planar pyrazole ring [maximum deviation = 0.026 (1) Å] makes dihedral angles of 72.06 (7) and 33.05 (7)°, with the phenyl and fluorobenzene rings, respectively. The dihedral angle between the two six-membered rings is 87.88 (7)°. In the crystal, intermolecular N—H⋯O and C—H⋯F hydrogen bonds link the molecules into layers lying parallel to the bc plane.
2α,8α-Diacetoxy-cis-himachalane

The title compound, C19H32O4, was synthesized from γ-himachalene, wich was isolated from essential oils of Cedrus atlantica. The molecule is built up from two fused six- and seven-membered rings. The six-membered ring has a screw-boat conformation, whereas the seven-membered ring displays a half-chair conformation; the dihedral angle between the mean planes of the rings is 61.99 (6)°.
2-[(E)-(Dimethylamino)methyleneamino]benzonitrile

In the title compound, C10H11N3, the amidine unit, including the two methyl substituents, is virtually planar [maximum deviation = 0.016 (5) Å]. The plane of the benzene ring forms a dihedral angle of 46.5 (3)° with the amidine group.
Herbal medicines: challenges [editorial]

Herbal medicines are but one component of complementary and alternative medicine which includes acupuncture chiropractic manipulation meditation homeopathy and other approaches. Since the introduction of orthodox medicines in Africa the use of herbal medicine in treating various ailments has existed alongside western medicines. Herbal medicines are playing major roles in the health of thousands of people worldwide. In spite of the vastly improved health and longevity in the United Sates and Europe millions are turning back to traditional herbal medicines in order to prevent or treat many illnesses and a reasonable proportion of drugs dispensed in community pharmacies now contain drugs extracted from plants. The high demand for herbal medicines from traditional medical practitioners in Nigeria and elsewhere in Africa is a clear indication of the attitude and beliefs of people about the medicines. (excerpt)
1,3-Bis(phenylsufanylmethyl)benzene

The complete molecule of the title compound, C20H18S2, is generated by crystallographic mirror symmetry, with two C atoms lying on the mirror plane. All of the independent atoms are contained within two planes defined by the thiophenyl rings (C6S) and the central phenyl ring with the methylene bridge; the r.m. s deviations of these planes are 0.012 and 0.025 Å, respectively. The two planes are almost perpendicular to one another at a dihedral angle of 80.24 (10)°. Intermolecular C—H—π interactions are present in the crystal structure.
(E)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol

In the title compound, C19H22BrNO, the dihedral angle between the benzene rings is 76.17 (14)° and an intramolecular O—H⋯N hydrogen bond with an S(6) graph-set motif is present. One methyl group is disordered over two sets of sites with site occupancies of 0.66 (3) and 0.34 (3). A weak intermolecular C—H⋯π interaction is observed in the crystal structure.
1,5-Di­methyl-4-{[(E)-3-oxo-3-(2-thienyl)-1-(tri­fluoro­methyl)-1-propenyl]­amino}-2-phenyl-1,2-di­hydro-3H-pyrazol-3-one

In the title compound, C19H16F3N3O2S, the side-chain carbonyl group, the adjacent double bond and the amine N atom are essentially coplanar, with the largest deviation from the mean plane being 0.010 (2) A. A strong intramolecular N—H⋯O hydrogen bond [N⋯O 2.702 (3) A and N—H⋯O 139 (3)°] is observed, leading to an en­amine tautomer in the solid state.
5-Chloro-2-(4-chlorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran

In the title compound, C16H12Cl2O2S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-chlorophenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 15.91 (4)°. In the crystal, molecules are linked into chains along the b axis by weak intermolecular C—H⋯O hydrogen bonds.
4-[3-(Trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-3(2H)-one

The title compound, C15H13F3N2O, contains one benzene ring, one cyclohexane ring and a pyridazine ring. The dihedral angle formed by the pyridazine ring with the benzene ring is 61.5 (2)°. The crystal structure is stabilized by two intermolecular hydrogen bonds (N—H⋯O and C—H⋯F). The cyclohexane ring adopts a screw-boat conformation. The CF3 group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.
5-Cyclohexyl-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran

In the title compound, C22H23FO2S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.013 (2) Å] of the benzofuran ring system and the mean plane [r.m.s. deviation = 0.009 (2) Å] of the 3-fluorophenyl ring is 24.80 (4)°. In the crystal, molecules are connected by C—H⋯O hydrogen bonds, forming chains along [10-1]. These chains are linked via C—H⋯F hydrogen bonds, forming a three-dimensional structure. There are also interplanar interactions present involving the furan ring of the benzofuran ring system and the 3-fluorophenyl ring [centroid–centroid distance = 3.728 (2) Å].
(Z)-5-Fluoro-3-[(1H-pyrrol-2-yl)methylene]indolin-2-one

The title compound, C13H9FN2O, a potential neuroprotective agent, consists of an indolinone and a pyrrolyl unit [dihedral angle between the ring planes = 4.9 (1)°]. An intramolecular hydrogen bond between the carbonyl O atom and the NH group of pyrrole correlates with the Z arrangement of the substituents at the C=C bond. In the crystal, inversion dimers occur, linked by pairs of N—H⋯O bonds.
Effect of Coenzyme Q10 Supplementation on Markers of Oxidative Stress in Streptozotocin Induced Diabetic Rats

Increasing evidences link free radicals and oxidative stress to the pathogenesis of diabetes and related complications. The aim of this study was to investigate the effects of exogenous coenzyme Q10 supplementation on streptozotocin induced experimental diabetes in rats. Experimental diabetes was induced by single subcutaneous injection of streptozotocin ( 50 mg/kg/ body weight) . Forty male albino rats were used in this study, they were divided into 4 groups: control group, coenzyme Q10 treated group, diabetic group and coenzyme Q10 treated diabetic group. At the end of the experiment (8 weeks) urine samples were collected, rats were sacrificed and blood samples were collected for biochemical analysis. Significant high levels of blood sugar, glycated Hb, total cholesterol, triglyceride, LDL cholesterol, advanced oxidative protein products , 8-hydroxy-2-deoxyguanosine and percent of DNA damage as well as significant low levels of nitric oxide and HDL cholesterol were observed in diabetic group. Significant low levels of blood sugar, glycated Hb, cholesterol, triglyceride, LDL cholesterol, advanced oxidative protein products, 8-hydroxy-2-deoxyguanosine and percent of DNA damage as well as significant high levels of nitric oxide and HDL cholesterol were observed in coenzyme Q10 treated diabetic group. The data confirmed the property of coenzyme Q10 as an antioxidant that ameliorates oxidative stress and that it may be used as an additional therapeutic agent for prophylaxis and slowing down the progression diabetic complications.
Predictors of the Treatment Response

Slowly but surely, in almost a decade, researchers have been provided with convincing evidence for the important role of anti-TNF therapy and a potential mechanism for the efficacy of anti-TNF therapy in the management of ulcerative colitis. Now, researchers are taking another big step forward to identify predictors of the treatment response to anti-TNF therapy in order to deliver personalized care. Identifying predictors involves a wide repertoire of genetic, epigenetic, and clinical events, as well as pharmacokinetics. Along with rapidly progressing experimental studies aiming to understand the molecular pathways of TNF-α, evidence gained from analyses of pivotal clinical trials and accumulating data from longer periods of patient exposure have opened up multiple avenues of investigation for the development of comprehensive composite predictors of the treatment response of ulcerative colitis patients to anti-TNF therapy.
SHORT COMMUNICATION Prevalence, antibiogram profile and cross transmission of Pseudomonas aeruginosa in a tertiary burn unit

Aims: Pseudomonas aeruginosa is an opportunistic pathogen that still develops life threatening infections in patients with immunological system defects like burns. The major problem with this organism is the ability to persist during infections due to its high rate of resistance to many drugs. This study was designed to evaluate the prevalence and drug susceptibility profile of Pseudomonas aeruginosa in patients admitted to a burn unit in a tertiary health facility. Methodology and Result: From 80 selected patients, appropriate clinical specimens from burn sites were collected and processed for the isolation and identification of Pseudomonas aeruginosa. Also, 78 surveillance samples from various environmental sites and hands impressions of nursing staff in the burn unit were cultured for the isolation of Pseudomonas aeruginosa. Drug susceptibility profile showed high resistance for ceftazidime (40.7%) ciprofloxacin (13.1%) and piperacillin (34.6%); furthermore, low resistance for some antibiotics like imipenem (17.5%) pipereracillin/tazobactam (12.3%) and aztreonam (16%) were obtained. In addition, 8 multiresistant Pseudomonas aeruginosa (MRPA) isolates were recovered from clinical specimens and from environmental samples. Conclusion, significance and impact of study: Evidence of high prevalence of clinical and environmental MRPA reported in this study provides the rationale for strict enforcement of infection prevention protocol to minimize cross transmission of bacterial pathogens in hospital burn units and consequent disease burden arising from MRPA.
4-Chloro-N-(3,5-dimethylphenyl)benzamide

In the molecular structure of the title compound, C15H14ClNO, the amide group forms dihedral angles of 15.8 (2) and 27.2 (2)°, respectively, with the benzoyl and aniline rings, while the angle between the benzoyl and aniline rings is 11.5 (1)°. The crystal structure is stabilized by N—H⋯O hydrogen bonds, which give rise to infinite chains running along the c axis.
Evaluation of the Deans, Deputies and Staff Tendencies to Management Perspective of Agency/Stewardship at Islamic

There are two general views of management known as Agency and Stewardship. The kind of management approach or methodology that managers choose to manage their organizations, depend on various factors such as psychological, cultural and structural factors. In this study, the influence of these factors and the tendency ofofficials and staffs of Islamic Azad University 4 Th Region to agency or stewardship has been studied. Statistical Population of this research including Deans, assistants and employees of four units of the Islamic Azad University (N=100). Thus sampling was not done and they were all studied. Data is collected by means of scholar questionnaires that its content validity was measured via referring to reviewers and specialists and its reliability amountwascalculated0.78 by Cronbach's alpha. Collecting data were analyzed by correlation coefficient and F test. The results show that there is a significant relationship between views of officials and staffs both about psychological, structural and cultural factors and Stewardship approach. Therefore, the potential productivity of Islamic Azad University 4Th Region is available.
5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate

The title compound, C9H8N2O8, was obtained by the reaction of imidazole-4,5-dicarboxylic acid and 2-chloroacetic acid. An intramolecular O—H⋯O hydrogen bond occurs. The crystal packing is stabilized by intermolecular O—H⋯O and C—H⋯O hydrogen bonds, which link molecules into a three-dimensional network.
1-Dichloroacetyl-t-3-isopropyl-r-2,c-6-diphenylpiperidin-4-one

In the title compound, C22H23Cl2NO2, the piperidine ring adopts a twist-boat conformation. The phenyl rings substituted at the 2- and 6-positions of the piperidine ring subtend dihedral angles of 60.6 (2) and 84.2 (1)°, respectively, with the mean plane of the piperidine ring. In the crystal, molecules are linked by C—H⋯O interactions into zigzag chains running along the c-axis direction.
3,3′-Bis(4-chlorophenyl)-2,2′-(m-phenylenedioxy)diquinazolin-4(3H)-one

In the title compound, C34H20Cl2N4O4, the two quinazoline heterocyclic systems and the adjacent chlorobenzene rings are not coplanar, but oriented at dihedral angles of 66.66 (13) and 52.48 (12)°, respectively. The quinazoline ring systems are nearly planar, with dihedral angles between the planes of the two rings of 5.43 (16) and 3.40 (14)°, and are oriented at dihedral angles of 79.73 (13) and 83.52 (13)° with respect to the adjacent benzene ring between them. Intermolecular C—H⋯O hydrogen bonds contribute to the stability of the structure. In addition, weak π–π stacking interactions [centroid-to-centroid distances = 3.872 (1) and 3.876 (1) Å] are observed in the crystal structure.
The influence of physical therapy on oropharyngeal dysphagia in acute stroke patients

Background Dysphagia occurs in 65% of acute stroke patients, resulting in airway obstruction, malnutrition, and chest infection. Objective The aim of this study was to evaluate the effect of a designed physical therapy program that consists of therapeutic physical exercises in addition to neuromuscular electrical stimulation on severe swallowing disorders (oropharyngeal dysphagia) in acute ischemic cerebrovascular stroke patients. Methods Thirty stroke patients suffering from severe dysphagia were assigned randomly to two equal groups: the study group (G1) and the control group (G2). The patients in the study group (G1) received medical treatment in addition to a designed physical therapy program mainly directed at strengthening and stimulating the elevator muscles of the larynx above and below the hyoid bone, whereas the patients in the control group (G2) were under medical treatment only. Digital fluoroscopy was used to assess the following variables: oral transit time, laryngeal elevation, hyoid elevation, esophageal sphincter opening, and aspiration or penetration. Assessment was carried out before and at the end of treatment after 6 weeks. Results Before treatment, there were no significant differences in different variables between G1 and G2. After treatment there was significant improvement in all variables in G1 compared with G2, as measured by digital fluoroscopy. Conclusion The suggested physical therapy program could be an effective and safe method for improving and restoring the normal swallowing mechanism in ischemic stroke patients suffering from severe dysphagia.
2,5-Bis(4-methoxyphenyl)-1,3,4-oxadiazole

In the title compound, C16H14N2O3, the essentially planar 1,3,4-oxadiazole ring [maximum deviation = 0.0021 (11) Å] is inclined at dihedral angles of 8.06 (6) and 11.21 (6)° with respect to the two benzene rings; the dihedral angle between the latter rings is 11.66 (5)°. In the crystal, short intermolecular C⋯O interactions [2.9968 (15) Å] connect adjacent molecules into chains propagating in [203]. The crystal structure is further stabilized by weak intermolecular C—H⋯π interactions.
(E)-4-Amino-N′-(3-nitrobenzylidene)benzohydrazide

In the title compound, C14H12N4O3, the dihedral angle between the benzene rings is 7.6 (4)°. In the crystal, infinite sheets linked by N—H⋯O and bifurcated N—H⋯(O,N) hydrogen bonds propagate in the (10-1) plane, in which R 4 4(36) loops are apparent. Neighbouring layers may interact by way of very weak π–π stacking interactions [centroid–centroid distances = 3.9329 (13) and 4.0702 (13) Å].
3-Benzyl-2-(furan-2-yl)-1,3-thiazolidin-4-one

In the title compound, C14H13NO2S, the thiazolidine ring is approximately planar with a maximum deviation of 0.112 (1) Å. The furan ring is disordered over two orientations, with an occupancy ratio of 0.901 (5):0.099 (5). The central thiazolidine ring makes dihedral angles of 85.43 (8), 87.50 (11) and 87.9 (9)° with the phenyl ring and the major and minor components of the disordered furan ring, respectively. In the crystal, molecules are connected by weak intermolecular C—H⋯O hydrogen bonds, forming supramolecular chains parallel to the b axis.
Poly[diaqua-μ2-isonicotinato-μ2-oxalato-terbium(III)]

In the crystal structure of the title complex, [Tb(C6H4NO2)(C2O4)(H2O)2]n, the TbIII cation is coordinated by four O atoms from two oxalate ligands, two O atoms from two isonicotinate ligands and two O atoms from water molecules within a distorted square–antiprismatic coordination. The TbIII cation, the isonicotinate anion and the two crystallographically independent water molecules occupy general positions, whereas one of the two crystallographically independent oxalate anions is located on a center of inversion, and the second oxalate anion is located on a twofold rotation axis. The TbIII cations are linked by the oxalate and isonicotinate anions into layers, which are connected via intermolecular hydrogen-bonding and π–π stacking [with centroid-to-centroid distances of 3.509 (2) and 3.343 (3) Å] interactions into a three-dimensional network.
(20R,24R,25S)-3α,7α,12α,27-Tetraacetoxy-24,26-epoxy-5β-cholestane

In the title anhydroscymnol tetraacetate, C35H54O9, the fused chair conformation of the cyclohexane A/B ring junction is cis with a 5β-H configuration. The compound has a trimethylene oxide ring at position 24,26 and four acetate groups at the 3α,7α,12α,27 positions.
Caractère biphasique de l'hypoxie intermittente : mécanismes cardioprotecteurs induits par une exposition aiguë et conséquences inflammatoires d'une exposition chronique.

L'hypoxie intermittente (HI) est une composante majeure du syndrome d'apnees obstructives du sommeil (SAOS). Cette pathologie affectant 5% de la population generale, correspond a des episodes repetitifs de collapsus du pharynx pendant le sommeil, a l'origine d'une hypoxie. Le SAOS est associe a une augmentation du risque cardiovasculaire. Le but de ce travail est de caracteriser d'une part, les effets sur la fonction cardiaque d'une exposition aigue chez le rat, et d'autre part, les consequences inflammatoires, marqueurs precoces de l'atherogenese, d'une exposition chronique chez la souris. 24 h apres une exposition aigue a l'HI (4 h a 10% d'O2) une recuperation fonctionnelle post-ischemique et une reduction de la necrose cellulaire sont observees suite a une sequence d'ischemie-reperfusion dans un modele de cœur isole. Ces evenements refletent un phenomene de protection myocardique retardee, encore appele preconditionnement (PC) myocardique. Ce PC induit par l'HI, semble impliquer divers acteurs, la p38 MAP kinase et Erk1/2 comme initiateurs, la PKC, la iNOS et les canaux KATP mitochondriaux comme mediateurs. La comprehension du role de chacun de ces acteurs permettrait d'utiliser ces cibles potentielles afin de prevenir les maladies cardiovasculaires. L'exposition chronique a l'HI (5, 14 et 35 jours a 5% d'O2), induit une augmentation de la proliferation cellulaire, des taux de chimiokines inflammatoires ainsi que du phenomene de «rolling» leucocytaire. L'analyse approfondie de ce phenotype inflammatoire chez l'animal, permettrait de comprendre dans une perspective therapeutique, l'atherogenese developpee par les patients porteurs de SAOS.
5-(1H-1,2,3-Benzotriazol-1-ylmethyl)-3-phenyl-1,2,4-oxadiazole

In the title molecule, C15H11N5O, the 1,2,3-benzotriazole and 3-phenyl-1,2,4-oxadiazole units are individually essentially planar and the dihedral angle between them is 80.2 (2)°. In the crystal structure, molecules are connected via weak intermolecular C—H⋯N hydrogen bonds to form two-dimensional sheets.
17β-Hydroxy-17α-methylandrosta-1,4-dien-3-one

The title compound, C20H28O2, is a steroid with strong anabolic properties. The present solvent-free form crystallizes with two molecules per asymmetric unit. In the crystal, both molecules are involved in the formation of O—H⋯O hydrogen-bonded chains which extend along the b-axis direction.