bluuebunny/crossref_metadata_2025 huggingface dataset:
Using statistical methods to determine the load-bearing capacity of rectangular CFST columns
Authors: Vatulia Glib , Orel Yevhen , Rezunenko Maryna , Panchenko Nataliia
Published: November 2018

In the current practice of construction and design of transport facilities, structures with external reinforcement are commonly used which effectively resist compression. The use of steel-concrete and composite structures enables us to reduce material consumption and cost of structures significantly. There are a few established approaches used to evaluate the load-bearing capacity of steel-concrete structures under axial and eccentric compression, each being based on the initial prerequisites, which underlie the calculation formulas. In this paper, the functional relationship of the value of the maximum load-bearing capacity of rectangular concrete-filled steel tubular (CFST) columns under axial compression with the random eccentricity is plotted. A regression model is proposed based on the methods of mathematical statistics, which allows for the evaluation of the impact of geometrical and physical characteristics of rectangular CFST columns on the value of their load-bearing capacity. The correspondence of the obtained model to the experimental data, as well as the significance of the regression parameters are confirmed by Fisher and Student criteria.
Dynamic response of the tower of a NREL5MW wind turbine generator
Authors: Angelov Ivo
Published: November 2018

Considering the complexity of the aerodynamic interaction between a non-homogeneous, nonstationary wind field and a wind turbine, one can easily establish that the constructive elements of the turbine will be exposed to dynamic loads, which will eventually lead to forced motion and particularly to forced vibrations. One of the most significant elements of every wind turbine is the tower of the generator. The tower is subjected to forced vibrations and transmits all dynamic loads that appear in the wind turbine. That is why a dynamic analysis of the tower is worth executing. In this research such an analysis is made considering the tower of the generator as Euler-Bernoulli beam structure and considering it as a Love-Kirchhoff shell structure.
Empirical Research in Railway Transport Passengers’ Interest in the Utilisation of Progressive Methods of Passenger Handling
Authors: Brumercikova Eva , Bukova Bibiana
Published: November 2018

New technologies utilised abroad offer passengers a wide variety of options that can be adapted to passengers’ needs. The application of progressive ways of passenger handling requires the provision of integrated transport systems. Thanks to innovative technologies carriers can extend their offering of transport services with brand new services enabled with these technologies. The article presents the results of empirical research in railway transport passengers’ interest in the utilisation of progressive methods of passenger handling in the Slovak Republic.
Capacity range – definition and calculation
Authors: Šrámek Přemysl , Široký Jaromír , Hlavsová Pavlína
Published: November 2018

This article defines a new capacity parameter called capacity range (CR). The definition is explained and then the parameter is calculated for a selected section of Kolín – Choceň (overlapping section of RFC 7 and RFC 9). The calculation is based on timetable 2016. Capacity range, expressed as dependence of the number of trains on average delay increment, is a useful capacity parameter particularly for coherent railway sections with remote traffic control.
Optimizing process of check-in and security check at airport terminals
Authors: Široký Jaromír , Hlavsová Pavlína
Published: November 2018

The paper deals with possibilities of optimizing the process of check-in and security check at airport terminals using simulation program. Proposed model is based on real parameters and simulated in the environment of the program Tecnomatix Plant Simulation. This program simulates the process of check-in and security check. Queuing theory will be used for simulation. Principally it means queuing customers, i.e. accumulation of requests, in front of a service centre. Limiting criteria for optimization include operating conditions of airport terminals, financial means connected with personnel resources, legal standards related to safety in air transport and level of service indicators. The aim of the paper is to create a model, which analyses the passenger flow processes at the airport terminal and could be used for evaluating potential changes of the check-in and security check system at airport terminals.
Naturheilkundliche Behandlung von chronischer Diarrhö
Authors: Wöhrle Tanja
Published: November 2018

Nach teils ausgedehnten Operationen im Bereich des Dünn- und Dickdarmes (Morbus Crohn, Tumoren etc.) kommt es in aller Regel zu schwer zu behandelnden langdauernden wässrigen Diarrhöen. Mit den Standardmedikationen von Loperamid, Spasmolytika, Faserzusatz wie z. B. Optifibre und als Ultima Ratio Somatostatin gelingt eine Beherrschung der Diarrhö meist erst nach relativ langer Behandlung über mehrere Wochen. Die dabei entstehenden Kosten könnten durch den Einsatz von Homöopathika, insbesondere durch die Choleranosode, deutlich vermindert werden.
Diagnosis and Management of Acquired von Willebrand Disease in Heart Disease: A Review of the Literature
Authors: Petricevic Mate , Knezevic Jadranka , Samoukovic Gordan , Bradaric Bozena , Safradin Ivica , Mestrovic Marija , Papestiev Vasil , Hodalin Alen , Madzar Tomislav , Mihalj Mario , Rotim Ante , Biocina Bojan
Published: November 2018

The incidence of acquired von Willebrand syndrome (AvWS) in patients with heart disease is commonly perceived as rare. However, its occurrence is underestimated and underdiagnosed, potentially leading to inadequate treatment resulting in increased morbidity and mortality.

In patients with cardiac disease, AvWS frequently occurs in patients with structural heart disease and in those undergoing mechanical circulatory support (MCS).

The clinical manifestation of an AvWS is usually characterized by apparent or occult gastrointestinal (GI) or mucocutaneous hemorrhage frequently accompanied by signs of anemia and/or increased bleeding during surgical procedures. The primary change is loss of high-molecular weight von Willebrand factor multimers (HMWM). Whereas the loss of HMWM in patients with structural heart disease is caused by increased HMWM cleavage by von Willebrand factor (vWF)-cleaving protease, ADAMTS13, AvWS in MCS patients is predominantly a result of a high shear stress coupled with mechanical destruction of vWF itself.

This manuscript provides a comprehensive review of the evidence regarding both diagnosis and contemporary management of AVWS in patients with heart disease.
Endoscopic Management of Gastrointestinal Complications
Authors: Witte Samantha , Pauli Eric
Published: November 2018

Despite improvements in preoperative patient optimization, refinements in surgical methodology and technology, and the implementation of enhanced recovery protocols, complications following gastrointestinal (GI) surgery remain a fact of life. As the rates of GI surgical procedures increase worldwide, so will the volume of complications. The surgical management of complications is often not ideal, as some (such as acute staple line bleeding or the development of an anastomotic stricture) are luminal-based processes that are difficult to approach from an extraluminal (i.e., surgical) perspective. Endoscopy has largely replaced surgery for the management of such postoperative problems. Leak, the most feared complications of GI surgery, can result from intestinal resection, anastomosis formation, or from iatrogenic injury. With advancements in both diagnostic and therapeutic endoscopy, novel endoluminal and transluminal management options for leak continue to evolve. In centers where these interventions are readily available, they are becoming a first-line treatment option. This article will review the endoscopic management of GI complications with a particular focus on the management of postoperative strictures and of full-thickness GI tract defects (perforations, acute leaks, and chronic fistulae).
Organization and Application of ECLS Therapy—A Nationwide Survey in German Cardiosurgical Departments
Authors: Assmann Alexander , Boeken Udo , Klotz Stefan , Harringer Wolfgang , Beckmann Andreas
Published: November 2018

Background In context of the multidisciplinary German scientific guideline “Use of extracorporeal circulation (extracorporeal life support [ECLS]/extracorporeal membrane oxygenation) for cardiac and circulatory failure,” a nationwide survey should depict the status of organization and application of ECLS therapy in Germany.

Methods Between June and October 2017, a standardized questionnaire consisting of 30 items related to ECLS therapy was sent to all German cardiosurgical departments, and all returned results were analyzed and evaluated.

Results The return rate amounted to 92.9% (78 out of 84 departments). In the participating departments, ECLS therapy is subject to different responsibilities, and exhibits divergent processes and various ways for specialization of the involved personnel. This also concerns local application standards, such as cannulation strategies, anticoagulation management, left ventricular unloading, antiwatershed treatment, and weaning from circulatory support.

Conclusion This nationwide survey underlines the necessity of a multidisciplinary guideline concerning ECLS therapy.
Comparison of Direct Surgical Costs for Proximal Row Carpectomy and Four-Corner Arthrodesis
Authors: Stephens Andrew , Presson Angela , Xu Yizhe , Feller Ross , Tyser Andrew , Kazmers Nikolas
Published: November 2018

Background Proximal row carpectomy (PRC) and four-corner arthrodesis (FCA) are common treatments for stage II scapholunate advanced collapse (SLAC) and scaphoid nonunion advanced collapse (SNAC) wrists, with similar functional and patient-reported outcomes reported in the peer-reviewed literature.

Questions Study questions included (1) whether surgical encounter total direct costs (SETDCs) differ between PRC and FCA, and (2) whether SETDC differs by method of fixation for FCA.

Patients and Methods Consecutive adult patients (≥ 18 years) undergoing PRC and FCA between July 2011 and May 2017 at a single tertiary care academic institution were identified. Patients undergoing additional simultaneous procedures were excluded. Using our institution's information technology value tools, we extracted prospectively collected cost data for each surgical encounter. SETDCs were compared between PRC and FCA, and between FCA subgroups (screws, plating, or staples).

Results Of 42 included patients, mean age was similar between the 23 PRC and 19 FCA patients (51.2 vs. 54.5 years, respectively). SETDCs were significantly greater for FCA than PRC by 425%. FCA involved significantly greater facility costs (2.3-fold), supply costs (10-fold), and operative time (121 vs. 57 minutes). Implant costs were absent for PRC, which were responsible for 55% of the SETDC for FCA. Compared with compression screws, plating and staple fixation were significantly more costly (70% and 240% greater, respectively).

Conclusion SETDCs were 425% greater for FCA than PRC. Implant costs for FCA alone were 130% greater than the entire surgical encounter for PRC. For FCA, SETDC varied depending on the method of fixation.

Level of Evidence This is a level III, cost analysis study.
Giant Cell Tumor of Bone: Review of Current Literature, Evaluation, and Treatment Options
Authors: Montgomery Corey , Couch Cory , Emory Cynthia , Nicholas Richard
Published: November 2018

Giant cell tumor of bone is a benign albeit aggressive tumor commonly affecting the bones of the knee. Patients with these tumors present with pain, swelling, and inability to bear weight on the involved extremity. These destructive tumors typically arise in the metaphyseal region of the long bones in individuals in the second, third, and fourth generations of life. Histologically, the multinucleated giant cells are the hallmark of the lesion, easily recognized on histological review, which recently have become therapeutic targets for medical management of the disease. For decades, surgical management has been the primary treatment for giant cell tumor of the bone. Some tumors can be treated with excision and filling of the osseous void with bone cement or allograft. This is an effective treatment option with a low to moderate risk of local recurrence while preserving limb function. For more destructive tumors, wide excision and reconstruction with prosthetic, structural allograft or combined allograft prosthetic components are utilized. Advances in medical management of the disease have also demonstrated promise as an effective treatment; however, its use has usually been limited to the treatment of metastatic disease, recurrent disease or when advanced local disease would require surgical treatment felt to be overly morbid.
Malignant Bone Tumors of the Knee: How to Identify and Treat
Authors: Voskuil Ryan , Evenski Andrea , Montgomery Corey , Emory Cynthia
Published: November 2018

Malignant bone tumors are rare conditions that may be encountered by nononcologic surgeons only a few times in their careers, but a delay in diagnosis or a misinterpretation of data can have limb and life-threatening consequences. Prior literature suggests that unplanned resection of sarcoma was associated with an increased risk of local recurrence, decreased 10-year survival, and increased amputation rate compared with planned resection. In addition to patient morbidity, missed diagnoses and unplanned excisions of malignant tumors lead to increased cost of treatment and higher likelihood of subsequent medicolegal action. According to the American Cancer Society, the 5-year survival of all combined cases of malignant bone tumors is approximately 70%. However, the survival rate of each type of malignant bone tumor varies, with multiple myeloma survival rates being much lower and lymphoma somewhat higher. These rates depend on many factors including grade, stage, and chemotherapy response. For example, the 10-year survival of localized osteosarcoma is almost 70%, yet rapidly declines to 20 to 30% in patients with metastases. This further emphasizes the elevated importance of prompt recognition and treatment of malignant bone tumors.
Phosphato complexes of cobalt(III). V. The anation of diaquobis(ethylenediamine) cobalt(III) by orthophosphates
Authors: Lincoln SF , Stranks DR
Published: November 2018

The anation
reaction of [Co en2(OH2)2]3+
by PO43-, and their protonic analogues, is shown to
proceed in two kinetic steps. The first is the rapid equilibrium formation of
ion-pairs, followed by a slow substitution step. Ion-pair formation causes a
significant shift in the cis-trans
equilibrium position at pH 7. The anation rate
exhibits a sharp maximum around pH 7, and kinetic studies demonstrate that the anation proceeds predominantly via the trans-[Co en2OH.OH2]2+.HPO2-4ion-pair. The rate of
inner-sphere substitution from this ion-pair (k = 0.255 min-1 at
47.9�, ΔH? = 30.0 � 0.6 kcal mole-1 =, ΔS? = +(19 � 3) e.u.) is 10-20 times slower than the estimated rate of
water exchange with trans-[Co en2OH.OH2I2+. Specific structures are
assigned to the ion-pairs and these structures influence rates of substitution.
At high phosphate concentrations, there is spectral evidence for the slower
formation of diphosphate complexes. The relevance of
these kinetic observations to the generation and preparation of phosphato complexes is discussed.
Further observations concerning steroidal, β-lactones. Boron trifluoride catalysed rearrangements of β-lactones in the cholestane series
Authors: Ahmad MS , Sharma RP , Siddiqui H , Shafiullah
Published: November 2018

B-Nor-5β-cholestane-3,3,5-diol-6-carboxylic
acid 5,6-lactone 3-acetate on treatment with BF3 etherate in ether
or ether-acetic anhydride gave B-norcholest-5-en-3β-ol-6-carboxylic acid
3-acetate and 19-nor-5-methyl-B-nor-5β-cholest-9(10)-en-3,3-ol-6-carboxylic
acid 3-acetate, a product of the Westphalen rearrangement. B-Nor-5β-cholestan-5-ol-6-carboxylic
acid 5,6-lactone under similar reaction conditions provided the product of the
Westphalen rearrangement, 19-nor-5-methyl-B-nor-5β-cholest-9(10)-ene-6-carboxylic
acid.
Nuclear magnetic resonance studies in the interaction of M2+ (M = Zn, Cd, Hg and Pb) with adenine
Authors: Beveridge SJ , Walker WR
Published: November 2018

The interaction of metal
chlorides with adenine in dimethyl sulphoxide (Me2SO) has been shown
to decrease in the order Hg > Zn Cd > Pb. It has been shown that HgCl2 forms a 1 : 1
complex with adenine with a formation constant of 11.11. mol-1 at
34.5� which is similar to that reported previously for the nucleoside,
adenosine. The addition of chloride ion to adenine solutions containing these
metals reverses the chemical shifts markedly and is probably due to [MCl4]2-
formation. This may be relevant to the absorption of metal ions by living
organisms.
Nickel-catalysed methylation of ketones by trimethylaluminium
Authors: Jeffery EA , Meisters A , Mole T
Published: November 2018

Nickel acetylacetonate
catalyses the methylation of ketones to methyl carbinolates by trimethyl-aluminium.
Concurrently it also catalyses other reactions of trimethylaluminium with
ketones. Most notable of these is the gem-dimethylation of acetophenone to t-butylbenzene; a few aryl ketones undergo similar
gem-dimethylation, and p-acetoxyacetophenone gives
p-t-butylphenyl acetate. ��� Several other nickel compounds are
effective. A mechanism for the catalysis is suggested which involves oxidative
addition of trimethylaluminium to zerovalent nickel.
Aromatic amides. X. Anisotropic shielding by protonated amide and thioamide groups
Authors: Rae ID
Published: November 2018

N.m.r. spectra have been
recorded for solutions of N-aryl amides and thioamides in trifluoroacetic acid.
Anisotropic deshielding by >C=O and >C=S is sharply reduced when these
groups become protonated and in a number of cases upfield shifts are recorded
for nearby protons.
Crystal structure of (2,2'-Bipyridyl)tricarbonylchloro(chloromercurio)molybdenum-(II)
Authors: Brotherton PD , Epstein JM , White AH , Wild SB
Published: November 2018

The crystal structure of
the title compound, [(C10H8N2)Mo(CO)3(HgCl)Cl], has been determined at
295 K from diffractometer data, being refined by full-matrix methods to a
residual of 0.08 (1407 reflections, I > σ(I)). Crystals are monoclinic,
P21/c, a = 12.685(4), b = 12.494(4), c = 11.925(3) Ǻ, β =
118.70(2)�, Z = 4. The seven-coordinate molybdenum atom has the following bond
distances: Mo-Hg, 2.700(7); , 2.29(4); , 1.89(4); Mo-Cl,
2.51(2).
Complexes of 8-Amino-2-phenylquinoline with copper(II) and nickel(II)
Authors: Power LF , King JA
Published: November 2018

The ligand
8-amino-2-phenylquinoline reacts with excess copper(II) and nickel(II) salts to
give monochelated complexes. An excess of ligand
leads to bischelated complexes.
The Syntheses and Crystal-Structures of Decahydro-5,14:6,13:7,12-Trimethanopentacene and Decahydro-5,14-7,12-Dimethanopentacene: Two Useful Molecules for Investigating Laticyclic Hyperconjugation
Authors: Craig DC , Paddonrow MN , Patney HK
Published: November 2018

The syntheses of decahydro-5,14:6,13:7,12-trimethanopentacene and decahydro-5,14:7,12-dimethanopentacene are described (see Schemes 1 and 2 respectively). Diels -Alder reaction of diene (10) with two equivalents of tetrachlorothiophen 1,1-dioxide (11) gave the adduct (12), which was aromatized to (13) through treatment with base. Reductive dechlorination (Na/ PriOH ) of (13) gave (6). A similar set of reactions performed on (17), itself prepared from cyclohexa-1,4-diene and two equivalents of hexachlorocyclopentadiene (15), gave (7). The crystal structures of (6) and (7) were determined. An interesting feature of the structure of (7) is the slight endo pyramidalization (by c. 3°) of the trigonal carbon atoms C 4a, C 7a, C 11a and C 14a. Model ab initio calculations (STO-3G basis set) on complexes (27) and (28), whose geometries were culled from the crystal structure of (6), indicate that significant laticyclic hyperconjugative interactions (c. 0.3 eV ) are mainly responsible for causing the observed splitting between the πs+πs and πs-πs levels in the photoelectron spectrum of (6). Orbital interactions through the pair of six connecting sigma bonds (OIT-6-B) in (6) have a negligible effect (c. 0.08 eV ) on these levels. In agreement with prediction, laticyclic hyperconjugation does not affect the πa+πa and πa-πa levels.
Solution Phase Synthesis and Conformational Analysis of Glu-Ser-Leu-Ser-Ser-Ser-Glu-Glu-NHMe and Its Peptide Congeners (Non-Phosphorylated Region 14-21 of Bovine β-Casein A2)
Authors: Perich JW , Johns RB
Published: November 2018

The octapeptide H-Glu-Ser-Leu-Ser-Ser-Ser-Glu-Glu-NHMe.CF3CO2H and its five shorter peptide congeners (from tripeptide to heptapeptide ) were prepared in high yield and purity by the Boc mode of solution phase peptide synthesis followed by palladium- catalysed hydrogenolytic deprotection of the six protected peptides in 50% CF3CO2H/CH3CO2H solution. The analysis of the six peptides by 13C n.m.r. spectroscopy and C18 reversed-phase chromatography suggested that a structural arrangement commenced at the hexapeptide stage and was considered to be due to the formation of a β-turn conformation.
Homolytic Substitution at Phosphorus: An Ab initio Study of the Reaction of Hydrogen Atom and Methyl Radical With Phosphine and Methylphosphine
Authors: Schiesser CH , Wild LM
Published: November 2018

Homolytic substitution reactions of hydrogen atom and methyl radical at the phosphorus atom in phosphine and methylphosphine have been examined by high-level ab initio molecular orbital theory. MP4SDTQ/6-31G**//MP2(FC)/6-31G** calculations predict that free-radical attack at the phosphorus atom in phosphines is facile, with energy barriers of 14-33 kJ mol-1 and likely to involve hypervalent phosphoranyl radical intermediates. These intermediates, in turn, are found to have dissociative energy barriers of 10-31 kJ mol-1, depending on leaving group, and are unlikely to undergo pseudorotation prior to dissociation. MP5/6-31G**//MP2/6-31G** calculations indicate that permutational isomerism of phosphoranyl radical is likely to involve barriers of 145 and 127 kJ mol-1 for mechanisms involving transition states of D4h and C4v symmetry respectively.
Kinetic and Spectroscopic Studies on Acyl Radicals in Solution by Time-Resolved Infrared Spectroscopy
Authors: Brown CE , Neville AG , Rayner DM , Ingold KU , Lusztyk J
Published: November 2018

A number of acyl radicals, RĊ=O, have been generated in hexane or di -t-butyl peroxide as solvent at room temperature by 308 nm laser flash photolysis, and their spectroscopic and kinetic properties have been examined by time-resolved infrared spectroscopy. The C=O stretching frequencies for the RĊ=O radicals are found to be higher than those of the corresponding aldehydes, RCHO, by between 108 and 128 cm-1, an effect attributed to a higher C=O bond order in the radicals. For the RĊ=O radicals some typical values of vC =O are: CH3Ċ=O, 1864 cm-1; (CH3)3CĊ=O, 1848 cm-1; and C6H5Ċ=O, 1828 cm-1, while the corresponding acylperoxyl radicals, RC(O)OO, formed by reaction with oxygen have vC =O values of 1838, 1840 and 1820 cm-1, respectively. The acyl radicals exhibit a reactivity towards a variety of substrates that is roughly comparable to that of simple alkyl radicals. For reactions of the benzoyl radical some typical rate constants/M-1 s-1 are: CCl4, 6.0x104; C6H5SH, 4.8×107; CCl3Br, 2.2×108; Tempo, 1.1×109; and oxygen, 1.8×109. Alkanoyl radicals have a rather similar reactivity to benzoyl. The propanoyl radical reacts with tributyltin deuteride with a rate constant of 3×105 M-1s-1. The hex-5-enoyl radical undergoes a 5-exo-trig cyclization to form the 2-oxocyclopentylmethyl radical with a rate constant of 2.2×105 s-1, a value which is almost identical to that for cyclization of the hex-5-enyl radical. It is hoped that our kinetic data will prove useful in the planning of organic synthetic strategies which involve acyl radical chemistry.
Ab initio Predictions of the Gas-Phase Acidities of Diazirine and Diazomethane
Authors: Russell AJ , Scott AP , Radom L
Published: November 2018

Absolute gas-phase acidities of diazirine, diazomethane, dimethylamine, ethylamine and methylamine have been obtained with ab initio molecular orbital calculations at the G2 and G2(MP2) levels of theory. Values at the G2 and G2(MP2) levels are all within 1 kJ mol-1 of one another. The calculated gas-phase acidities for diazomethane, dimethylamine, ethylamine and methylamine (and other reference molecules considered) are all within 3 kJ mol-1 of experiment. For diazirine the calculated result, although consistent with experiment, would suggest an acidity towards the lower end of the range of possible experimental values.
Synthesis and Structural Systematics of Nitrogen Base Adducts of Group 2 Salts. III. Some Mixed-Ligand Complexes With Pyridine Base and Oxygen Donors
Authors: Kepert DL , Skelton BW , Waters AF , White AH
Published: November 2018

In association with the report of a number of homoleptic pyridine base adducts of Group 2 salts in the preceding paper, a number of mixed-ligand compounds have been synthesized and characterized by room-temperature single-crystal X-ray studies. MgI2.2H2O.6py ≡ [trans-( py )4Mg(OH2)2]I2.2py (1) is monoclinic, P21/c, a 10.47(1), b 10.0400(8), c 32.77(1) Ǻ, β 92.34(6)°, Z = 4; R was 0.053 for No = 2990 independent, observed (I > 3σ(I)) diffractometer reflections. Mg-O are 2.063(8) and 2.061(8), Mg-N ranging between 2.19(1) and 2.23(1) Ǻ. MgI2.4H2O.8(3,5-dmpy)≡[trans-(3,5-dmpy)2Mg(OH2)4]I2.6(3,5-dmpy) (2) is orthorhombic, Pcab , a 22.203(6), b 17.023(8), c 16.548(7) Ǻ, Z = 4 f.u .; R 0.045 for N o 2457. Mg-O are 2.026(5) and 2.082(5), and Mg-N 2.267(6) Ǻ in the centrosymmetric cation, with which the aggregate of anions and solvent form a discrete hydrogen-bonded cluster. CaBr2.2H2O.4(2-mpy) ≡ [trans-CaBr2(OH2).2(2-mpy)2].2(2-mpy) (3) is monoclinic, P 21/c, a 7.076(1), b 9.329(3), c 21.957(2) Ǻ, β 98.34(1)°, Z = 2 f.u .; R 0.076 for No 1599; Ca-Br, N, O are 2.840(1), 2.56(1), 2.355(6) Ǻ respectively; its 3-mpy counterpart (4) has a very similar cell but with b and c transposed; R was 0.047 for No 2116, and Ca-Br, N, O 2.8902(6), 2.500(5), 2.344(3) Ǻ. Sr (ClO4)2.3py.dmf ≡ [ Sr (O2ClO2)2( py )3(O- dmf )] (5) is monoclinic, P21, a 8.814(2), b 16.985(7), c 9.499(1) Ǻ, β 114.97(1)°, Z = 2; R 0.047 for No 1717. The strontium is eight-coordinate: Sr -O(ClO4) are 2.644(8)-2.69(1), Sr-N 2.64(1)-2.69(1), Sr -O( dmf ) 2.417(9) Ǻ. The other two compounds, Ba (ClO4)2.H2O.L (L = py (6), 3-mpy (7)), are two-dimensional polymers, linked by bridging perchlorate ions and water molecules. Compound (6) is orthorhombic, Pnna , a 24.098(3), b 10.444(1), c 4.871(3) Ǻ, Z = 4 f.u ., R 0.025 for N o 688: the barium is 11-coordinate Ba (O(H2O))2(O(ClO4))8N with m symmetry, Ba -N 2.889(7), Ba-O(H2O)2.943(4), Ba-O(ClO4) 2.844(6)-2.942(5) Ǻ. Compound (7) is monoclinic, P 21/c, a 7.421(4), b 24.479(8), c 7.293(7) Ǻ, β 104.80(6)°, Z = 4 f.u ., R 0.041 for N o 2033; the barium is nine-coordinate Ba (O(H2O))2(O(ClO4))6N, Ba-N 2.839(7), Ba -O(H2O) 2.791(5), 3.049(5), Ba-O(ClO4) 2.753(6)-2.936(6) Ǻ.
Synthesis and Antibacterial Activity of Some 'Bisquinolones'
Authors: Coppel RL , Deady LW , Loria PM , Olden DC , Turnidge JD
Published: November 2018

Ten ' bisquinolones' were prepared by joining two molecules of norfloxacin, or 1,8-naphthyridine and benzo [c][1,8] naphthyridine derivatives, with various aliphatic linkers. These were tested against 17 bacteria strains but none showed more than slight activity (MIC ≥ 10 mg/l). However, a 'monoquinolone' derived from benzo [c][1,8] naphthyridine showed greater activity than norfloxacin against a strain of Acinetobacter.
Ligands for the Central Benzodiazepine Receptor: Structure - Affinity Relationship Studies on Imidazo[1,2-b]pyridazines
Authors: Matyus P , Barlin GB , Harrison PW , Wong MG , Davies LP
Published: November 2018

Seventy-six imidazo [1,2-b] pyridazines and some bicyclic isomers have been analysed and compared in terms of geometric and electronic requirements for binding to central benzodiazepine receptors. The binding sites identified for these compounds by molecular modelling are consistent with known benzodiazepine receptor- ligand interaction models. However, for the most active compounds, additional binding sites are proposed.
Imidazo[1,2-b]Pyridazines. XIX. Syntheses and Central Nervous System Activities of Some 6-Arylthio(aryloxy and alkylthio)-3-(acetamidomethyl, benzamidomethyl, methoxy and unsubstituted)-2-arylimidazo[1,2-b]pyridazines
Authors: Barlin GB , Davies LP , Ireland SJ
Published: November 2018

Some 6-arylthio( aryloxy and alkylthio )-3-( acetamidomethyl , benzamidomethyl, methoxy and unsubstituted )-2-arylimidazo[1,2-b] pyridazines have been prepared and examined for their ability to displace [3H]diazepam from rat brain membranes. The most active compound was 3-acetamidomethyl-2-(3',4'-methylenedioxyphenyl)-6-phenylthioimidazo[1,2-b] pyridazine with IC50 4.4 nM. The 3-acylaminomethyl-6-(2- and 3-methoxyphenylthio)-2-phenylimidazo[1,2-b] pyridazines proved less active than their 6-phenylthio analogues, and larger substituents at the 2- and 6-positions markedly decreased binding. Significant differences in binding ability have been observed between 3-acylaminomethyl-2-aryl-6-phenylthioimidazo[1,2-b] pyridazines and the corresponding imidazo [1,2-a]pyridines.
Structures of Some Complexes Containing the ReIVCl4 Unit
Authors: Engelhardt LM , Figgis BN , Sobolev AN , Reynolds PA
Published: November 2018

The X-ray crystal structure determinations of five complexes of rhenium(IV) containing the ReCl4L2 unit, with L monodentate , are reported, one at 92 K. They are: (1) cis -( HNCMeNHPh )2ReCl4, Pccn , a 21.677(4), b 7.253(1), c 12.470(2) Ǻ, R1(2σ) 0.0217, Rw 0.0473; (2) the di ( acetonitrile ) solvate of (1), Pī , a 10.005(2), b 12.120(2), c 12.744(2) Ǻ, α 72.19(1), β 67.65(1), γ 90.95(1)°, R1(2σ) 0.0311, Rw 0.0819; (3) cis -(HN= CMeNH (p-C6H4Me))2ReCl4, Pna21, a 12.782(2), b 8.237(1), c 21.279(3) Ǻ, R1(2σ) 0.0497, Rw 0.1066; (4) cis-( thf )2ReCl4, P 212121, a 7.785(2), b 12.666(4), c 14.253(5) Ǻ, R1(2σ), 0.0326, Rw 0.0827; and (5) trans-(Me2PhP)2ReCl4, P 21/c, a 9.701(2), b 13.739(6), c 8.324(2) Ǻ, β 106.83(2), R1(2σ) 0.0241, Rw 0.0613. The Re-Cl bond lengths in these and six other ReIVCl4L2 octahedral complexes are compared, and no distinct trans-effect of the donor atom on the chlorine atoms is seen either where L is monodentate as in our compounds or where L2 is a chelate ligand, as in the examples from the literature, although the results are much less clear there.
Studies in Thiohydantoin Chemistry. II. C-Terminal Sequencing of Peptides
Authors: Casagranda F , Duggan BM , Kirkpatrick A , Laslett RL , Wilshire JFK
Published: November 2018

An investigation has been carried out into the thiocyanate degradation (AcOH/Ac2O/HSCN) procedure as it relates to the C-terminal sequencing of peptides, particular emphasis being placed on the sequencing of amino acid residues containing sensitive or functional side chains. Attempted C-terminal sequencing of several serine- and threonine -containing peptides stopped at these particular residues, and did not proceed further. It is concluded that sequencing of most of the common amino acids is achievable but that significant problems will have to be overcome before routine sequencing of proline , serine, threonine, arginine , and, in particular, aspartic and glutamic acids can be claimed. The action of base on the thiohydantoin derivatives of N,S- diacetylcysteine and N,S- diacetyl-β-methylcysteine causes β-elimination of thioacetic S-acid to give the corresponding olefinic thiohydantoins.
The Synthesis of Zinquin Ester and Zinquin Acid, Zinc(II)-Specific Fluorescing Agents for Use in the Study of Biological Zinc(II)
Authors: Mahadevan IB , Kimber MC , Lincoln SF , Tiekink ERT , Ward AD , Betts WH , Forbes IJ , Zalewski PD
Published: November 2018

The syntheses of Zinquin ester [ethyl [2-methyl-8-(p- tolylsulfonylamino )-6-quinolyloxy]acetate] and the corresponding acid, both of which are zinc(II)-specific fluorophores , are described. 6-Methoxy-2-methyl-8-(p- tolylsulfonylamino ) quinoline (2) can be demethylated , with boron tribromide, to form either the expected phenol or a mixture of the phenol and the corresponding 5-bromo derivative depending upon the reaction conditions. These compounds react with ethyl bromoacetate to give the corresponding esters, as well as the 5-ethoxycarbonyl derivative formed by electrophilic substitution. Halogenation of the sulfonamide (2) occurs readily at the 5-position. The 5-iodo product undergoes a Heck coupling with ethyl acrylate . The crystal structures of ethyl [5-ethoxycarbonylmethyl-2-methyl-8-(p- tolylsulfonylamino )-6-quinolyloxy]acetate and [5-carboxymethyl-2-methyl-8-(p- tolylsulfonylamino )-6-quinolyloxy]acetic acid are described.
Hypoalectorialic Acid and Conechinocarpic Acid, Two New Benzyl Esters From Lichens
Authors: Elix JA , Elix JA , Wardlaw JH , Wardlaw JH
Published: November 2018

The benzyl esters hypoalectorialic acid [6-(2',4'-dihydroxy-3',6'-dimethylbenzoyloxymethyl)-2,4-dihydroxy-3-methylbenzoic acid] (5) and conechinocarpic acid [1',4'-dihydroxy-6'-methoxy-3'-oxo-1',3'-dihydroisobenzofuran-5'-ylmethyl 2-hydroxy-4-methoxy-3,6-dimethylbenzoate (7) have been isolated from the lichens Hypotrachyna hypoalectorialica and Relicina samoensis respectively. The structure of the compounds (5) and (7) followed from a combination of spectroscopic and chemical data.
The Distribution of Contaminants and the Nature of the Alteration Products in Physically Separated Grains of Altered Ilmenites
Authors: Khor L , Parks T , Lincoln FJ , Graham J
Published: November 2018

So-called ' ilmenite ', 'leucoxene' and 'rutile' grades of commercial heavy mineral concentrates were fractionated magnetically, in the laboratory. In the less magnetic ractions, secondary TiO2 (both anatase and rutile ), formed by the alteration of ilmenite grains, was separated from primary rutile, on the basis of density. The separated fractions were examined by optical and scanning electron microscopy (SEM) and X-ray diffraction (XRD) methods, thereby insights being gained into the nature of secondary contamination in altered ilmenite. Grains of secondary TiO2 are very porous and report with an effective density <4.0 g/cm3 in a Magstream separator. Nearly all of these grains, which were distinctively fawn or dull grey in colour, were shown to contain epitaxially oriented, polycrystalline rutile , by single-grain XRD. The porosity of the grey grains was fine and uniform, � whereas the fawn grains contained coarse pores within a trellis of the oriented rutile. Randomly oriented anatase powder occurred with the oriented rutile in some fawn grains. Such trellis textures could facilitate the subsequent ingress of contaminants. Electron probe microanalysis (EPMA) indicated considerable variation in the level of contaminants, between grains, but the averaged analyses for a given fraction were in broad agreement with bulk analyses by X-ray fluorescence (XRF). XRD of single grains showed that anatase occurred significantly more often in fawn grains that were extracted from EPMA mounts because of their high levels of contaminants. The anatase may provide a high surface area for adsorption of contaminants, and/or be an indicator of a past environment where 'insoluble' oxides have been more mobile.
The Chemistry of 5-Oxodihydroisoxazoles. XV. Reaction of Derived Ketenimines With Enamines and Enolates
Authors: Baradarani M , Prager RH , Schafer K
Published: November 2018

Reaction of 2-heterocyclisoxazol-5(2H)-ones with bases leads to the formation of ketenimines, which react with nucleophiles in competition with intramolecular reactions. Such reactions in the presence of enamines, enamine anions or enolates are reported. Enamines undergo addition through carbon and nitrogen to the ketenimine in competition with direct addition-elimination to the isoxazolone. Enolates of imines or ketones add to the ketenimine to give a mixture of products: only the reaction with the enolate of cyclohexanone is sufficiently specific to provide a useful new synthetic procedure.
Synthesis of Depsides Present in the Lichen Porpidia glaucophaea
Authors: Elix JA , Elix JA , Wardlaw JH , Wardlaw JH
Published: November 2018

The structure of the lichen depsides 2'-O-methylsuperphyllinic acid (3), glaucophaeic acid (4), superconfluentic acid (5) and 4-O-demethylsuperconfluentic acid (6), and the isocoumarin insignin (7) have been confirmed by unambiguous synthesis.
Global genetic diversity in oilseed Brassica rapa
Authors: Annisa  , Chen S. , Cowling W. A.
Published: November 2018

Three major simple sequence repeat (SSR) groups were identified in a global collection of 164 oilseed Brassica rapa based on allelic diversity at loci: SSR group 1 (south Asia, predominantly from India, Pakistan, and Nepal); SSR group 2 (predominantly southern and eastern Europe with mostly winter and semi-winter types); and SSR group 3 (northern Europe, mostly from Germany, and many of unknown origin). Nine outliers from several regions were placed in a fourth SSR group, which had the highest allelic diversity per accession of all SSR groups. Analysis of molecular variance of SSR data supported four groups but indicated that genetic variance within populations was high (84%) compared with variance between populations. Flowering habit was classified as winter, spring or semi-winter type, and pollination control as self-incompatible or self-compatible. These phenotypes were distributed across each of the three SSR groups and outliers, although most SSR group 1 accessions were self-compatible spring types, and winter types were mainly from SSR groups 2 and 3. Two SSR sub-groups were present among Indian accessions, both of which contained brown-seeded types, but only one sub-group contained yellow-seeded types (most likely yellow sarson). Eleven B. rapa accessions were misclassified in genebanks as oilseed types but were re-classified as leafy or root vegetable types, and 12 accessions were misclassified as B. rapa and were shown to be allotetraploid or other Brassica species.
Competitive dynamics in mixtures of perennial ryegrass cultivars during two growing seasons under two cutting managements
Authors: Griffith V. , Gilliland T. J. , McEvoy M. , O'Donovan M.
Published: November 2018

Cultivar mixtures of perennial ryegrass (Lolium perenne L.), which mostly contain both diploids and tetraploids, are widely used in agricultural grassland systems, and yet limited knowledge exists on their competitive interactions after sowing. Two diploid cultivars (AberMagic, Twystar) and a tetraploid (Greengold), sown in different binary mixture ratios, were monitored over a 2-year period under frequent cutting to simulate cattle grazing and conservation managements. Composition was determined from fluctuations in phosphoglucoisomerase allozyme frequencies relative to the frequencies of the component cultivars.
An interaction occurred between cultivar sown ratio and seasonal period whereby greater changes in proportions occurred early in the first year. Cultivar proportions were significantly influenced by sown ratio, seasonal period and management. The diploid mixtures remained similar to their sown ratios, whereas the diploid–tetraploid mixtures, sown at 15% and 30%, increased to 33–61% under simulated grazing and 40–59% under conservation use. No changes were observed in the 50 : 50 diploid–tetraploid mixtures. A competitive equilibrium was attained after 1 year and compositions remained stable throughout the second year. The differences in large canopy structure between ploidies are a likely factor affecting competitive ability, and mixture construction should account for these hierarchies to achieve the desired sward composition.
More allopurinol is needed to get gout patients <0.36 mmol/L: a gout audit in the form of a before–after trial
Authors: Arroll Bruce , Bennett Merran , Dalbeth Nicola , Hettiarachchi Dilanka , Cribben Ben , Shelling Ginnie
Published: November 2018

AIM: To establish a benchmark for gout control using the proportion of patients with serum uric acid (SUA)<0.36 mmol/L, assess patients’ understanding of their preventive medication and trial a mail and phone intervention to improve gout control. METHODS: Patients clinically diagnosed with gout and baseline SUAs were identified in two South Auckland practices. A mail and phone intervention was introduced aimed at improving the control of gout. Intervention #1 took place in one practice over three months. Intervention #2 occurred in the other practice four to 16 months following baseline. RESULTS: No significant change in SUA from intervention #1 after three months. The second intervention by mail and phone resulted in improvement in SUA levels with a greater proportion of those with SUA <0.36 mmol/L and the difference in means statistically significant (p=0.039 two-tailed paired t-test). Benchmarking for usual care was established at 38–43% SUA <0.36 level. It was possible to increase from 38% to 50%. Issues relating to gout identified included lack of understanding of the need for long-term allopurinol and diagnosis and management for patients for whom English is not their first language. STRATEGIES FOR IMPROVEMENT: (1) Community workers who speak Pacific languages may assist GPs in communicating to non-English speaking patients. (2) Alternative diagnoses should be considered in symptomatic patients with prolonged normouricaemia. (3) GPs should gradually introduce allopurinol after acute gout attacks, emphasising importance of prophylaxis. (4) A campaign to inform patients about benefits of allopurinol should be considered. (5) A simple one keystroke audit is needed for gout audit and benchmarking. (6) GP guidelines for gout diagnosis and management should be available. KEYWORDS: Gout; uric acid; clinical audit; benchmarking; family practice
Charms & Harms: Saw palmetto
Authors: Barnes Joanne
Published: November 2018

SUMMARY MESSAGE: There is no robust evidence that saw palmetto fruit extract is effective in the treatment of benign prostatic hyperplasia. Evidence indicates that it is a safe product (at current doses) but with questionable efficacy. As with all herbal medicines, saw palmetto products differ in their pharmaceutical quality, and the implications of this should be considered.
Sperm macrocephaly syndrome in the ostrich Struthio camelus: morphological characteristics and implications for motility
Authors: du Plessis L. , Bonato M. , Durandt C. , Cloete S. W. P. , Soley J. T.
Published: November 2018

Sperm macrocephaly syndrome (SMS) is characterised by a high percentage of spermatozoa with enlarged heads and multiple tails, and is related to infertility. Although this multiple sperm defect has been described in other mammalian species, little is known about this anomaly in birds. Morphological examination of semen from nine South African black ostriches (Struthio camelus var. domesticus) involved in an AI trial revealed the variable presence of spermatozoa with large heads and multiple tails. Ultrastructural features of the defect were similar to those reported in mammals except that the multiple tails were collectively bound within the plasmalemma. The tails were of similar length and structure to those of normal spermatozoa, and the heads were 1.6-fold longer, emphasising the uniformity of the anomaly across vertebrate species. Flow cytometry identified these cells as diploid and computer-aided sperm analysis revealed that they swim slower but straighter than normal spermatozoa, probably due to the increased drag of the large head and constrained movement of the merged multiple tails. The high incidence of this defect in one male ostrich indicates that, although rare, SMS can occur in birds and may potentially have an adverse effect on breeding programs, particularly for endangered species.
Monitoring post-release survival of the northern corroboree frog, Pseudophryne pengilleyi, using environmental DNA
Authors: Rojahn Jack , Gleeson Dianne , Furlan Elise M.
Published: November 2018

Context
Translocations are becoming an increasingly important conservation tool to combat rising levels of species extinction. Unfortunately, many translocation efforts fail; yet, the timing and cause of failure often remain unknown. Monitoring individuals in the days and weeks following release can provide valuable information on their capacity to survive this initial hurdle. In Australia, breeding programs have been established for the endangered northern corroboree frog, Pseudophryne pengilleyi, to enable reintroduction to the wild via captive-reared individuals, typically, early life stages such as eggs or juvenile frogs that cannot be monitored via traditional survey methods that target adult frogs (e.g. shout–response). Environmental DNA (eDNA) detects trace amounts of DNA that organisms release into their environment and could provide a means to infer population persistence for wildlife releases and translocations.

Aims
In the present study, we aim to develop an eDNA assay capable of detecting both sexes of P. pengilleyi across multiple life stages, and use it to monitor their survival.

Methods
An eDNA assay was developed to target the two corroboree frog species (P. pengilleyi and P. corroboree, the southern corroboree frog) and was tested for its sensitivity and specificity in silico and in vitro. Pseudophryne pengilleyi eggs were released into three naturally occurring ponds and water samples were, subsequently, collected from each pond on several occasions over a period of 78 days. Quantitative polymerase chain reaction was used to detect P. pengilleyi eDNA from water samples.

Key Results
The developed assay was shown to be sensitive and specific to corroboree frogs. eDNA monitoring of reintroduced P. pengilleyi detected the species’ DNA at three of three release ponds and DNA remained detectable until at least 78 days post-release at two of three ponds.

Conclusions
We show how the development of a corroboree frog-specific assay allowed us to monitor the post-release survival of P. pengilleyi in naturally occurring pools.

Implications
eDNA surveys may provide a useful tool to monitor post-release survival of translocated populations in a non-invasive manner, with the potential to identify the timing and causes of failure. Such knowledge can be used to inform the management of translocated populations and future release strategies.
An endogenous chemorepellent directs cell movement by inhibiting pseudopods at one side of cells
Authors: Rijal Ramesh , Consalvo Kristen M. , Lindsey Christopher K. , Gomer Richard H.
Published: November 2018

Eukaryotic chemoattraction signal transduction pathways, such as those used by Dictyostelium discoideum to move toward cAMP, use a G protein–coupled receptor to activate multiple conserved pathways such as PI3 kinase/Akt/PKB to induce actin polymerization and pseudopod formation at the front of a cell, and PTEN to localize myosin II to the rear of a cell. Relatively little is known about chemorepulsion. We previously found that AprA is a chemorepellent protein secreted by Dictyostelium cells. Here we used 29 cell lines with disruptions of cAMP and/or AprA signal transduction pathway components, and delineated the AprA chemorepulsion pathway. We find that AprA uses a subset of chemoattraction signal transduction pathways including Ras, protein kinase A, target of rapamycin (TOR), phospholipase A, and ERK1, but does not require the PI3 kinase/Akt/PKB and guanylyl cyclase pathways to induce chemorepulsion. Possibly as a result of not using the PI3 kinase/Akt/PKB pathway and guanylyl cyclases, AprA does not induce actin polymerization or increase the pseudopod formation rate, but rather appears to inhibit pseudopod formation at the side of cells closest to the source of AprA.