bluuebunny/crossref_metadata_2025 huggingface dataset:
Postoperative Delirium in Elderly Patients Undergoing Major Spinal Surgery: Role of Cerebral Oximetry
Authors: Soh Sarah , Shim Jae-Kwang , Song Jong-Wook , Kim Keung-Nyun , Noh Hyun-Young , Kwak Young-Lan
Published: August 2016

Background:

Perioperative cerebral hypoperfusion/ischemia is a major inciting factor of postoperative delirium, which is coupled with adverse outcome in elderly patients. Cerebral oximetry enables noninvasive assessment of the regional cerebral oxygen saturation (rSO2). This study aimed to investigate whether perioperative rSO2 variations were linked to delirium in elderly patients after spinal surgery.

Materials and Methods:

Postoperative delirium was assessed for 48 hours postsurgery in 109 patients aged over 60 years without a prior history of cerebrovascular or psychiatric diseases by the Confusion Assessment Method for the intensive care unit and the intensive care delirium screening checklist. The rSO2 values immediately before and throughout surgery were acquired. The preoperative cognitive functions, patient characteristics, and perioperative data were recorded.

Results:

During the 48-h postoperative period, 9 patients (8%) exhibited delirium. The patients with delirium showed similar perioperative rSO2 values as those without, in terms of the median lowest rSO2 values (55% vs. 56%; P=0.876) and incidence (22%, both) and duration of decline of rSO2<80% of the baseline values. The serially assessed hemodynamic variables, hematocrit levels, and blood gas analysis variables were also similar between the groups, except for the number of hypotensive events per patient, which was higher in the patients with delirium than in those without (4, interquartile range [IQR] 3 to 6 vs. 2, IQR: 1to 3; P=0.014).

Conclusions:

The degree and duration of decrease of the perioperative rSO2 measurements were not associated with delirium in elderly patients after spinal surgery.
Does Breast Milk Affect Neonatal Abstinence Syndrome Severity, the Need for Pharmacologic Therapy, and Length of Stay for Infants of Mothers on Opioid Maintenance Therapy During Pregnancy?
Authors: Cirillo Cheryl , Francis Kim
Published: August 2016

Background:

The United States is in an opioid crisis with abuse among women on the rise over the past 10 years. Infants of opioid-dependent mothers are at risk for neonatal abstinence syndrome (NAS). Neonatal abstinence syndrome can affect multiple systems and disrupt normal growth and development. It is for this reason that strategies to promote health such as breastfeeding need to be explored. This brief evaluates current evidence regarding breast milk and the impact it has on NAS.

Purpose:

The question guiding this brief is: “Does provision of breast milk reduce NAS withdrawal symptoms, decrease length of stay, and decrease the need for pharmacologic therapy for infants whose mothers are maintained on methadone or buprenorphine?”

Search Strategy:

CINHAL/MEDLINE Complete and PubMed databases were searched using key words—NAS and breastfeeding—and the search was limited to 10 years for English studies evaluating the effects of breast milk on severity of NAS, pharmacologic therapy, and length of stay whose mothers received methadone or buprenorphine during pregnancy. The search yielded 10 studies addressing these concerns.

Findings:

Breast milk may be beneficial for decreasing NAS severity, pharmacologic therapy, and length of stay.

Implications for Practice:

Strategies should be developed to support individualized plans based on maternal history, safety, and mother's choice.

Implications for Research:

Further research is needed utilizing matched case-controlled studies regarding breast milk and the influence on severity of NAS, need for pharmacologic therapy, length of stay, and neurologic outcomes. In addition, other factors should be investigated including abrupt weaning, polysubstance use, and readmissions.
Low dose of l-glutamic acid attenuated the neurological dysfunctions and excitotoxicity in bilateral common carotid artery occluded mice
Authors: Ramanathan Muthiah , Abdul Khadar K. , Justin Antony
Published: August 2016

Glutamate, an excitatory neurotransmitter in the brain, produces excitotoxicity through its agonistic action on postsynaptic N-methyl-d-aspartate receptor, resulting in neurodegeneration. We hypothesized that the administration of low doses of glutamate in cerebral ischemia could attenuate the excitotoxicity in neurons through its autoreceptor regulatory mechanism, and thereby control neurodegeneration. To test the hypothesis, the effect of l-glutamic acid (l-GA) 400 μmol/l/kg was evaluated in a bilateral common carotid artery occlusion-induced global ischemic mouse model. Memantine was used as a positive control. Global ischemia in mice was induced by occlusion of both the common carotid artery (bilateral common carotid artery occlusion) for 20 min, followed by reperfusion injury. l-GA was infused slowly through the tail vein 30 min before the surgery and every 24 h thereafter until the end of the experiment. The time-dependent change in cerebral blood flow was monitored using a laser Doppler image analyzer. The neurotransmitters glutamate and γ-aminobutyric acid (GABA) and the neurobiochemicals ATP, glutathione, and nitric oxide were measured in the different regions of brain at 0, 24, 48, and 72 h after reperfusion injury. l-GA increased locomotor activity, muscle coordination, and cerebral blood flow in ischemic mice at 72 h after ischemic insult. l-GA reduced glutamate levels in the cortex, striatum, and hippocampus at 72 h, whereas GABA levels were elevated in all three brain regions studied. Further, l-GA elevated glutathione levels and attenuated nitric oxide levels, but failed to restore ATP levels 72 h after ischemia-reperfusion. We conclude that the gradual reduction of glutamate along with elevation of GABA in different brain regions could have contributed toward the neuroprotective effect of l-GA. Hence, a slow infusion of a low dose of l-GA could be beneficial in controlling excitotoxicity-induced neurodegeneration following ischemia.
Might Hallucinations Have Social Utility?
Authors: Kauffman Paul Richard
Published: August 2016

There are many historical examples of people who heard voices or saw visions but were not classified as having a mental illness and who were supported by a religious community. The article offers a perspective for effective psychosocial supports for schizophrenia. The author analyzes data on 95 people who experienced verifiable persistent non–drug-assisted hallucinations in Europe, North America, and Australasia and discusses the life outcomes of 39 subjects. They include founders of religions, dysfunctional monarchs, persons with cosmological beliefs, and mental health workers. Their psychoses were intrinsic to their personalities and contributions. Hallucinations generated by psychosis were useful for cultural innovation, particularly in religion as many hallucinators were integrated into church history. Community, work, friendship, and supportive practices are discussed. A scientific study of effective psychosocial support to supplement medication for schizophrenia is outlined.
Papilledema as a Diagnostic Sign of Cerebral Edema on Postmortem Magnetic Resonance Imaging
Authors: Neumann Ralph , Abu-Isa Janine , Stamou Stamatios , Gascho Dominic , Thali Michael J. , Ebert Lars C. , Flach Patricia Mildred
Published: August 2016

The purpose of this study was to investigate papilledema (PA) as a diagnostic criterion for the presence of antemortem or agonal cerebral edema despite normal postmortem brain swelling on postmortem magnetic resonance imaging (PMMR) in comparison with conventional autopsy.

One hundred subjects with head PMMR and autopsy were included in this study. The sensitivities, spec icities, positive predictive values (PPVs), negative predictive values (NPVs), and accuracies were calculated in terms of the PA, PMMR, and cerebral edema on autopsy. Spearmanrtests were used to analyze the linear correlations of PA and the radiological and autoptic determination of cerebral edema.

In autopsy, the sensitivity regarding the presence of PA and cerebral edema was 66.2% (PPV, 70.5%), and specificity was 48.6% (NPV, 28.3%), with an overall accuracy of 60%. On PMMR, the sensitivity was 86.6% (PPV, 95%). The specificity was 90.9% (NPV, 34%), with an overall accuracy of 88%. The Spearman correlation revealed a statistically significant result (P< 0.001), which indicated a strong linear correlation of the presence of PA and cerebral edema with the autopsy results and the PMMR results.

The presence of PA may aid in the diagnoses of cerebral edema despite normal postmortem brain swelling based on PMMR.
Forensic Autopsy of Human Decomposed Bodies as a Valuable Tool for Prevention
Authors: Maujean Géraldine , Vacher Pierrick , Bagur Jacques , Guinet Tiphaine , Malicier Daniel
Published: August 2016

Post mortem changes due to putrefaction sometimes make people wrongly consider the autopsy of a decomposed body as unrewarding. A 5-year retrospective study was conducted and included all types of decomposed body subject to medicolegal autopsy, excluding bone remains and charred bodies. Sociodemographic, medical, and forensic data were collected. In the 350 cases included, most were socially isolated mature males discovered at home. The cause of death was determined in 80% of cases, and the manner of death in 86.6%. Identification was considered effective in 99.7% of cases by the chief prosecutor. The authors show that such an autopsy usually answers most questions raised by the investigation but can also be a valuable tool in the prevention, making it possible to define a profile of persons at risk of dying alone. In addition, they underline that forensic scientists should be cautious in their identification of conclusion as diverging views regarding the concept of “presumed identity” may lead to ethical tensions between judiciary and prosecutors as well as the medical community.
Traumatic Brain Injury Due to Screwdriver Assaults
Authors: Pavlidis Pavlos , Karakasi Maria-Valeria , Birbilis Theodossios A.
Published: August 2016

Penetrating head injuries due to the use of screwdrivers as wounding agents in acts of interpersonal violence seldom occur. The aim of this article is to update and summarize the relevant literature on penetrating craniocerebral screwdriver stab wounds and to report a new case of screwdriver assault. A number of studies were reviewed to investigate the incidence, distribution, common findings, mechanism of injury, differential diagnostic criteria, complications, treatment, and prognosis of craniocerebral screwdriver stab injuries. It was observed that the degree of traumatic severity depends on the cross-sectional area of the screwdriver and the anatomical region of injury. Craniocerebral screwdriver injuries are mainly cases of interpersonal violence and the mortality rate is approximately 47.6%. In 23.8% of the incidents, the trauma is overlooked on admission because of the small entry wound and, thus, the severity of the injury is not initially appreciated.
Current Analysis of Hangings That Deviates From Recently Published Studies
Authors: Hlavaty Leigh , Kasper William , Sung LokMan
Published: August 2016

The constellation of injuries observed in hangings is a subject receiving frequent review in forensic pathology literature. Whereas recent studies have reported high concordance between hangings and internal findings such as strap muscle hemorrhages and hyoid bone and thyroid cartilage fractures, a 2-part study examining autopsied suicidal hangings over a 9-year period at the Wayne County Medical Examiner's Office produced markedly differing results. Retrospectively and prospectively, external and internal autopsy observations were correlated with factors such as age, sex, body height, body mass index, ligature, and height of suspension. In keeping with well-established forensic textbooks, nearly all cases displayed ligature marks and there was strong association between body position and the presence of petechiae. Diverging from contemporary articles, there was a distinctive paucity of internal injuries in both retrospective and prospective portions. Addressing concerns of confirmation bias, assessments confirmed the consistency in identifying and documenting injuries by the pathologists both retrospectively and prospectively.
Characteristics Associated With Successful Fitting of a Vaginal Bowel Control System for Fecal Incontinence
Authors: Matthews Catherine A. , Varma Madhulika G. , Takase-Sanchez Michelle M. , Hale Douglas S. , Van Drie Douglas , Muir Tristi , Wells Ellen , Jannelli Mary , Richter Holly E.
Published: August 2016

Objectives

We previously showed that management with a novel vaginal bowel control system was efficacious in women with moderate to severe fecal incontinence. The objective of this secondary analysis was to evaluate the clinical characteristics associated with device-fitting success.

Methods

This is a secondary analysis of an institutional review board-approved, multicenter, prospective, open-label clinical study of women aged 19 to 75 years with 4 or more episodes of fecal incontinence recorded on a 2-week baseline bowel diary. Those successfully fitted with the vaginal bowel control device entered a 1-month treatment period, and efficacy was assessed with a repeat bowel diary. Demographic data, medical and surgical history, and pelvic examination findings were compared across women with successful and unsuccessful completion of the fitting period. Multivariate logistic regression analysis was performed.

Results

Six clinical sites in the United States recruited from August 2012 through October 2013. Overall, 110 women underwent attempted fitting, of which 61 (55.5%) of 110 were successful and entered the treatment portion of the study. Multivariate logistic regression analysis revealed that previous prolapse surgery (P = 0.007) and shorter vaginal length (P = 0.041) were independently associated with unsuccessful fitting. Women who have not undergone previous prolapse surgery had 4.7 times the odds (95% confidence interval [CI], 1.53-14.53) of a successful fit. In addition, for every additional centimeter of vaginal length, women had 1.49 times the odds (95% CI, 1.02-2.17) of a successful fit.

Conclusions

Shorter vaginal length and previous prolapse surgery were associated with an increased risk of fitting failure. These findings may be used to inform patients regarding their expectation of successful fitting.
A Time-Out Before Every ECT Treatment
Authors: Watts Bradley V.
Published: August 2016

A preprocedure time time-out process is now advocated to occur before all invasive medical procedures with a goal to improve patient safety. Currently, the components of a time-out are commonly done before electroconvulsive therapy, but we advocate universal adoption of pre-electroconvulsive therapy time-out process and terminology.
Sensory neuron fate is developmentally perturbed byGarsmutations causing human neuropathy
Authors: Sleigh James N. , Dawes John M. , West Steven J. , Spaulding Emily L. , Gómez-Martín Adriana , Burgess Robert W. , Cader M. Zameel , Talbot Kevin , Bennett David L. , Schiavo Giampietro
Published: August 2016

Charcot-Marie-Tooth disease type 2D (CMT2D) is a peripheral nerve disorder caused by dominant, toxic, gain-of-function mutations in the widely expressed, housekeeping gene,GARS. The mechanisms underlying selective nerve pathology in CMT2D remain unresolved, as does the cause of the mild-to-moderate sensory involvement that distinguishes CMT2D from the allelic disorder distal spinal muscular atrophy type V. To elucidate the mechanism responsible for the underlying afferent nerve pathology, we examined the sensory nervous system in CMT2D mice. We show that the equilibrium between functional subtypes of sensory neuron in dorsal root ganglia is distorted byGarsmutations, leading to sensory defects in peripheral tissues and correlating with overall disease severity. CMT2D mice display changes in sensory behaviour concordant with the afferent imbalance, which is present at birth and non-progressive, indicating that sensory neuron identity is prenatally perturbed and that a critical developmental insult is key to the afferent pathology. This suggests that both neurodevelopmental and neurodegenerative mechanisms contribute to CMT2D pathogenesis, and thus has profound implications for the timing of future therapeutic treatments.

Significance Statement

Charcot-Marie-Tooth disease (CMT) is a collection of genetically diverse inherited nerve disorders with the unifying feature of peripheral neuron degeneration. The mechanisms triggering this motor and sensory nerve dysfunction remain unresolved, as does the reason for the lack of sensory pathology observed in distal hereditary motor neuropathies, which can be associated with CMT genes. To unravel the mechanisms leading to afferent deterioration, we have studied the sensory nervous system of CMT Type 2D mice. Our work indicates that the specific cellular identity of sensory nerves is perturbed in mutant mice pre-natally. CMT therefore manifests through the complex interplay between malfunctioning developmental, maturation, and survival programs, which has important ramifications for therapeutic timing.
The TAF10-containing TFIID and SAGA transcriptional complexes are dispensable for early somitogenesis in the mouse embryo
Authors: Bardot Paul , Vincent Stéphane D. , Fournier Marjorie , Hubaud Alexis , Joint Mathilde , Tora László , Pourquié Olivier
Published: August 2016

During development, tightly regulated gene expression programs control cell fate and patterning. A key regulatory step in eukaryotic transcription is the assembly of the pre-initiation complex (PIC) at promoters. The PIC assembly has mainly been studiedin vitro, and little is known about its composition during development.In vitrodata suggests that TFIID is the general transcription factor that nucleates PIC formation at promoters. Here we show that TAF10, a subunit of TFIID and of the transcriptional co-activator SAGA, is required for the assembly of these complexes in the mouse embryo. We performedTaf10conditional deletions during mesoderm development and show thatTaf10loss in the presomitic mesoderm (PSM) does not prevent cyclic gene transcription or PSM segmental patterning, while lateral plate differentiation is profoundly altered. During this period, global mRNA levels are unchanged in the PSM, with only a minor subset of genes dysregulated. Together, our data demonstrate that the TAF10-containing canonical TFIID and SAGA complexes, are dispensable for early paraxial mesoderm development, arguing against the generic role in transcription proposed for these fully assembled holo complexes.
Telomere, epigenetic clock, and biomarker-composite quantifications of biological aging: Do they measure the same thing?
Authors: Belsky D.W. , Moffitt T.E. , Cohen A.A. , Corcoran D. , Levine M.E. , Prinz J. , Schaefer J. , Sugden K. , Williams B. , Poulton R. , Caspi A.
Published: August 2016

The geroscience hypothesis posits that therapies to retard biological processes of aging can prevent disease. To test such “geroprotective” therapies in humans, surrogate endpoints are needed for extension of disease-free lifespan. Methods to quantify biological aging could provide such surrogate endpoints, but different methods have not been systematically evaluated in the same humans. We studied seven measures of biological aging in 964 middle-aged humans in the Dunedin Study: telomere-length, three epigenetic-clocks, and three biomarker-composites. Agreement between these different measures of biological aging was low. We also compared associations between biological aging measures and outcomes that geroprotective therapies will seek to modify: physical functioning, cognitive decline, and subjective signs of aging. The 71-CpG epigenetic clock and the biomarker composites were consistently related to these outcomes. Effect-sizes were modest. Quantification of biological aging is a young field. Next steps are to move toward systematic evaluation and refinement of methods.
Empowering Multi-Cohort Gene Expression Analysis to Increase Reproducibility
Authors: Haynes Winston A. , Vallania Francesco , Liu Charles , Bongen Erika , Tomczak Aurelie , Andres-Terrè Marta , Lofgren Shane , Tam Andrew , Deisseroth Cole A. , Li Matthew D. , Sweeney Timothy E. , Khatri Purvesh
Published: August 2016

A major contributor to the scientific reproducibility crisis has been that the results from homogeneous, single-center studies do not generalize to heterogeneous, real world populations. Multi-cohort gene expression analysis has helped to increase reproducibility by aggregating data from diverse populations into a single analysis. To make the multi-cohort analysis process more feasible, we have assembled an analysis pipeline which implements rigorously studied meta-analysis best practices. We have compiled and made publicly available the results of our own multi-cohort gene expression analysis of 103 diseases, spanning 615 studies and 36,915 samples, through a novel and interactive web application. As a result, we have made both the process of and the results from multi-cohort gene expression analysis more approachable for non-technical users.
Root hair-endophyte stacking (RHESt) in an ancient Afro-Indian crop creates an unusual physico-chemical barrier to trap pathogen(s)
Authors: Mousa W. K. , Shearer C. , Limay-Rios Victor , Ettinger C. , Eisen J. A. , Raizada M.N.
Published: August 2016

The ancient African crop, finger millet, has broad resistance to pathogens including the toxigenic fungusFusarium graminearum. Here we report the discovery of a novel plant defence mechanism, resulting from an unusual symbiosis between finger millet and a root-inhabiting bacterial endophyte, M6 (Enterobactersp.). Seed-coated M6 swarms towardsFusariumattempting to penetrate root epidermis, induces growth of root hairs which then bend parallel to the root axis, then forms biofilm-mediated microcolonies, resulting in a remarkable, multi-layer root hair-endophyte stack (RHESt). RHESt results in a physical barrier that prevents entry and/or trapsF. graminearumwhich is then killed. Thus M6 creates its own specialized killing microhabitat. M6 killing requires c-di-GMP-dependent signalling, diverse fungicides and xenobiotic resistance. Further molecular evidence suggests long-term host-endophyte-pathogen co-evolution. The end-result of this remarkable symbiosis is reduced DON mycotoxin, potentially benefiting millions of subsistence farmers and livestock. RHESt demonstrates the value of exploring ancient, orphan crop microbiomes.
Bovine Lactoferrin Activity Against Chikungunya and Zika Viruses
Authors: Carvalho Carlos A. M. , Casseb Samir M. M. , Gonçalves Rafael B. , Silva Eliana V. P. , Gomes Andre M. O. , Vasconcelos Pedro F. C.
Published: August 2016

Chikungunya (CHIKV) and Zika (ZIKV) viruses are two arboviruses which have recently broken their sylvatic isolation and gone into a rampant spreading among humans in some urban areas of the world, specially in Latin America. Given the huge burden that Chikungunya and Zika fevers impose to public health in the affected countries and the lack of effective interventions against them, the aim of this work was to evaluate the antiviral potential of bovine lactoferrin (bLf) – an iron-binding glycoprotein with broad-spectrum antimicrobial properties – in both CHIKV and ZIKV infections. The general antiviral activity of bLf was assessed by plaque assays, and the inhibitory effects of the protein on specific stages of virus infecion was evaluated by immunofluorescence and nucleic acid quantification assays. Our data show that bLf exerts a dose-dependent strong inhibitory effect on the infection of Vero cells by the aforementioned arboviruses, reducing their infection efficiency in up to nearly 80%, with no significant cytotoxicity, and such antiviral activity occurs at the levels of binding and replication of the virus particles. Taken together, these findings reveal that bLf antimicrobial properties are extendable to CHIKV and ZIKV, underlining a generic inhibition mechanism that can be explored to develop a potential strategy against their infections.
Molecular basis of outer kinetochore assembly on CENP-T
Authors: Huis in ’t Veld Pim J. , Jeganathan Sadasivam , Petrovic Arsen , John Juliane , Singh Priyanka , Weissmann Florian , Bange Tanja , Musacchio Andrea
Published: August 2016

Stable kinetochore-microtubule attachment is essential for cell division. It requires recruitment of outer kinetochore microtubule binders by centromere proteins C and T (CENP-C and CENP-T). To study the molecular requirements of kinetochore formation, we reconstituted the binding of the MIS12 and NDC80 outer kinetochore subcomplexes to CENP-C and CENP-T. Whereas CENP-C recruits a single MIS12:NDC80 complex, we show here that CENP-T binds one MIS12:NDC80 and two NDC80 complexes upon phosphorylation by the mitotic CDK1:Cyclin B complex at three distinct CENP-T sites. Visualization of reconstituted complexes by electron microscopy supports this model. Binding of CENP-C and CENP-T to MIS12 is competitive, and therefore CENP-C and CENP-T act in parallel to recruit two MIS12 and up to four NDC80 complexes. Our observations provide a molecular explanation for the stoichiometry of kinetochore components and its cell cycle regulation, and highlight how outer kinetochore modules bridge distances of well over 100 nm.
Deep learning based root-soil segmentation from X-ray tomography images
Authors: Douarre Clément , Schielein Richard , Frindel Carole , Gerth Stefan , Rousseau David
Published: August 2016

One of the most challenging computer vision problem in plant sciences is the segmentation of root and soil from X-ray tomography. So far, this has been addressed from classical image analysis methods. In this paper, we address this root/soil segmentation problem from X-ray tomography using a new deep learning classification technique. The robustness of this technique, tested for the first time on this plant science problem, is established with root/soil presenting a very low contrast in X-ray tomography. We also demonstrate the possibility to segment efficiently root from soil while learning on purely synthetic soil and root.
A ladder coordination polymer based on Ca2+and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid): crystal structure and solution-state NMR study
Authors: Venkatramaiah Nutalapati , Mendes Ricardo F. , Silva Artur M. S. , Tomé João P. C. , Almeida Paz Filipe A.
Published: August 2016

The preparation of coordination polymers (CPs) based on either transition metal centres or rare-earth cations has grown considerably in recent decades. The different coordination chemistry of these metals allied to the use of a large variety of organic linkers has led to an amazing structural diversity. Most of these compounds are based on carboxylic acids or nitrogen-containing ligands. More recently, a wide range of molecules containing phosphonic acid groups have been reported. For the particular case of Ca2+-based CPs, some interesting functional materials have been reported. A novel one-dimensional Ca2+-based coordination polymer with a new organic linker, namely poly[[diaqua[μ4-(4,5-dicyano-1,2-phenylene)bis(phosphonato)][μ3-(4,5-dicyano-1,2-phenylene)bis(phosphonato)]dicalcium(II)] tetrahydrate], {[Ca2(C8H4N2O6P2)2(H2O)2]·4H2O}n, has been prepared at ambient temperature. The crystal structure features one-dimensional ladder-like∞1[Ca2(H2cpp)2(H2O)2] polymers [H2cpp is (4,5-dicyano-1,2-phenylene)bis(phosphonate)], which are created by two distinct coordination modes of the anionic H2cpp2−cyanophosphonate organic linkers: while one molecule is only bound to Ca2+cationsviathe phosphonate groups, the other establishes an extra single connectionviaa cyano group. Ladders close pack with water molecules through an extensive network of strong and highly directional O—H...O and O—H...N hydrogen bonds; the observed donor–acceptor distances range from 2.499 (5) to 3.004 (6) Å and the interaction angles were found in the range 135–178°. One water molecule was found to be disordered over three distinct crystallographic positions. A detailed solution-state NMR study of the organic linker is also provided.
Spectroscopic characterization and molecular structure of 3,14-dimethyl-2,6,13,17-tetraazapentacyclo[16.4.0.12,17.16,13.07,12]tetracosane
Authors: Moon Dohyun , Hong Yong Pyo , Choi Jong-Ha
Published: August 2016

Constrained cyclam derivatives have been found to exhibit anti-HIV effects. The strength of binding to the CXCR4 receptor correlates with anti-HIV activity. The conformation of the macrocyclic compound is very important for co-receptor recognition. Therefore, knowledge of the conformation and crystal packing of macrocycles has become important in developing new highly effective anti-HIV drugs. Structural modifications of N-functionalized polyaza macrocyclic compounds have been achieved using various methods. A new synthesis affording single crystals of the title tetraazapentacyclo[16.4.0.12,17.16,13.07,12]tetracosane macrocycle, C22H40N4, is reported. Formaldehyde reacts readily at room temperature with the tetraazatricyclo[16.4.0.02,17]docosane precursor to yield a macropolycycle containing two five-membered rings. Characterization by elemental, spectroscopic and single-crystal X-ray diffraction analyses shows that the asymmetric unit contains half of a centrosymmetric molecule. The molecular structure shows atransconformation for the two methylene bridges owing to molecular symmetry. The crystal structure is stabilized by intramolecular C—H...N hydrogen bonds. NMR and IR spectroscopic properties support the methylene-bridged macrocyclic structure.
One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bondedADA/DADsynthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine
Authors: Hützler Wilhelm Maximilian , Egert Ernst , Bolte Michael
Published: August 2016

A path to new synthons for application in crystal engineering is the replacement of a strong hydrogen-bond acceptor, like a C=O group, with a weaker acceptor, like a C=S group, in doubly or triply hydrogen-bonded synthons. For instance, if the C=O group at the 2-position of barbituric acid is changed into a C=S group, 2-thiobarbituric acid is obtained. Each of the compounds comprises twoADAhydrogen-bonding sites (D= donor andA= acceptor). We report the results of cocrystallization experiments of barbituric acid and 2-thiobarbituric acid, respectively, with 2,4-diaminopyrimidine, which contains a complementaryDADhydrogen-bonding site and is therefore capable of forming anADA/DADsynthon with barbituric acid and 2-thiobarbituric acid. In addition, pure 2,4-diaminopyrimidine was crystallized in order to study its preferred hydrogen-bonding motifs. The experiments yielded one ansolvate of 2,4-diaminopyrimidine (pyrimidine-2,4-diamine, DAPY), C4H6N4, (I), three solvates of DAPY, namely 2,4-diaminopyrimidine–1,4-dioxane (2/1), 2C4H6N4·C4H8O2, (II), 2,4-diaminopyrimidine–N,N-dimethylacetamide (1/1), C4H6N4·C4H9NO, (III), and 2,4-diaminopyrimidine–1-methylpyrrolidin-2-one (1/1), C4H6N4·C5H9NO, (IV), one salt of barbituric acid,viz. 2,4-diaminopyrimidinium barbiturate (barbiturate is 2,4,6-trioxopyrimidin-5-ide), C4H7N4+·C4H3N2O3−, (V), and two solvated salts of 2-thiobarbituric acid,viz. 2,4-diaminopyrimidinium 2-thiobarbiturate–N,N-dimethylformamide (1/2) (2-thiobarbiturate is 4,6-dioxo-2-sulfanylidenepyrimidin-5-ide), C4H7N4+·C4H3N2O2S−·2C3H7NO, (VI), and 2,4-diaminopyrimidinium 2-thiobarbiturate–N,N-dimethylacetamide (1/2), C4H7N4+·C4H3N2O2S−·2C4H9NO, (VII). TheADA/DADsynthon was succesfully formed in the salt of barbituric acid,i.e.(V), as well as in the salts of 2-thiobarbituric acid,i.e.(VI) and (VII). In the crystal structures of 2,4-diaminopyrimidine,i.e.(I)–(IV),R22(8) N—H...N hydrogen-bond motifs are preferred and, in two structures, additionalR32(8) patterns were observed.
(+)-trans-Chlorido{2-[(R
p)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-ylidene}bis(triphenylphosphane-κP)palladium(II) hexafluoridophosphate dichloroform disolvate
Authors: Wilson-Konderka Cody , Lough Alan J. , Metallinos Costa
Published: August 2016

The title solvated complex, [FePd(C5H5)(C12H13N2S)Cl(C18H15P)2]PF6·2CHCl3, bearing a chiral ferrocenyl pyrroloimidazolylidene N-heterocyclic carbene (NHC) ligand, was synthesized by oxidative addition of a chloroimidazolium salt to Pd(PPh3)4. The PdII ion is coordinated in a slightly distorted square-planar coordination geometry, with the Cl atom trans to the coordinating C atom of the pyrroloimidazolylidene ligand. The complex features a pendant thioether group that is not involved in coordination to Pd. In the crystal, weak C—H...F and C—H...π interactions connect the components of the structure, forming chains propagating along [1-10]. The fused pyrrolidine ring is in an envelope conformation, and the flap atom was refined as disordered over two sets of sites, with occupancies of 0.77 (4) and 0.23 (4).
Crystal structure of methyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate
Authors: Bairagi Keshab M. , Venugopala Katharigatta N. , Mondal Pradip Kumar , Odhav Bharti , Nayak Susanta K.
Published: August 2016

The title hydrate, C13H14N2O4·H2O, crystallizes with two formula units in the asymmetric unit (Z′ = 2). The dihedral angles between the planes of the tetrahydropyrimidine ring and the 4-hydroxyphenyl ring and ester group are 86.78 (4) and 6.81 (6)°, respectively, for one molecule and 89.35 (4) and 3.02 (4)° for the other. In the crystal, the organic molecules form a dimer, linked by a pair of N—H...O hydrogen bonds. The hydroxy groups of the organic molecules donate O—H...O hydrogen bonds to water molecules. Further, the hydroxy group accepts N—H...O hydrogen bonds from amides whereas the water molecules donate O—H...O hydrogen bonds to the both the amide and ester carbonyl groups. Other weak interactions, including C—H...O, C—H...π and π–π, further consolidate the packing, generating a three-dimensional network.
Crystal structures of N-[(4-phenylthiazol-2-yl)carbamothioyl]benzamide and N-{[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl}benzamide from synchrotron X-ray diffraction
Authors: Gantimurova Ekaterina S. , Bunev Alexander S. , Talina Kristina Yu. , Ostapenko Gennady I. , Dorovatovskii Pavel V. , Lobanov Nikolai N. , Khrustalev Victor N.
Published: August 2016

The title compounds, C17H13N3OS2, (I), and C17H12BrN3OS2, (II), are potential active pharmaceutical ingredients. Compound (I) comprises two almost planar fragments. The first is the central (carbamothioyl)amide (r.m.s. deviation = 0.038 Å), and the second consists of the thiazole and two phenyl rings (r.m.s. deviation = 0.053 Å). The dihedral angle between these planes is 15.17 (5)°. Unlike (I), compound (II) comprises three almost planar fragments. The first is the central N-(thiazol-2-ylcarbamothioyl)amide (r.m.s. deviation = 0.084 Å), and the two others comprise the bromophenyl and phenyl substituents, respectively. The dihedral angles between the central and two terminal planar fragments are 21.58 (7) and 17.90 (9)°, respectively. Both (I) and (II) feature an intramolecular N—H...O hydrogen bond, which closes an S(6) ring. In the crystal of (I), molecules form hydrogen-bonded layers parallel to (100) mediated by N—H...S and C—H...O hydrogen bonds. In the crystal of (II), molecules form a three-dimensional framework mediated by N—H...Br and C—H...O hydrogen bonds, as well as secondary S...Br [3.3507 (11) Å] and S...S [3.4343 (14) Å] interactions.
Bis(methanol-κO)bis{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-κN1}cobalt(II)
Authors: Peng Zhen , Xia Liang , Dong Wen-Wen
Published: August 2016

The asymmetric unit of the title CoIIcomplex, [Co(C18H12N5)2(CH3OH)2], contains one half-molecule, and the complex is completed by application of an inversion centre. The CoIIcation is coordinated by two deprotonated 1,2,4-triazole-based ligands, and two methanol molecules, in an N4O2octahedral coordination geometry. Four N atoms are placed in the equatorial plane, whiletrans-methanol molecules occupy the axial positions. In the crystal, neighbouring complexes are linkedviaO—H...N hydrogen-bonding interactions, involving the methanol as donor and non-coordinating N triazole sites as acceptor groups, forming a two-dimensional network parallel to (100).
(η2,η2-Cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ2N,P]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate
Authors: Wei Siping , Möller Saskia , Heller Detlef , Drexler Hans-Joachim
Published: August 2016

The title compound, [Rh(C8H12)(C18H16NP)]BF4has been prepared as a precatalyst for applications in rhodium-catalysed additions of carbocyclic acids to terminal alkynes leading toanti-MarkovnikovZ-enol esters. Here the triclinic pseudopolymorph of the title compound is presented. In contrast to the earlier reported pseudopolymorph (orthorhombic space group) [Weiet al.(2013).Chem. Eur. J.19, 12067–12076], the triclinic polymorph contains half a molecule of dichloromethane as solvent in the asymmetric unit. The rhodium(I) atom exhibits a square-planar coordination. The estimated diffraction contribution of the disordered solvent (a half molecule of dichloroethane per asymmetric unit) was subtracted from the observed diffraction data using the SQUEEZE [Spek (2015).Acta Cryst.C71, 9–16] routine inPLATON. The given chemical formula and other crystal data do not take the solvent into account.
1,2,3,5-Tetramethyl-1H-pyrazol-2-ium triiodide
Authors: Oberparleiter Stefan , Laus Gerhard , Wurst Klaus , Schottenberger Herwig
Published: August 2016

The title salt, C7H13N2+·I3−, was obtained unintentionally by methylation of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine and subsequent fragmentation. The pyrazolium ring is almost planar (r.m.s. deviation = 0.003 Å) and the triiodide anion deviates slightly from linearity [I—I—I = 177.099 (12)°]. No directional interactions occur in the crystal.
2-Amino-3-methylpyridinium 3,4-dimethoxybenzoate
Authors: Sivakumar P. , Devi R. Niranjana , Israel S. , Chakkaravarthi G.
Published: August 2016

In the title molecular salt, C6H9N2+·C9H9O4−, the cation is protonated at the pyridine N atom. In the crystal, N—H...O hydrogen bonds link the components into [010] chains, which featureR22(8) loops. The chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.
(18-Crown-6-κ6O){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κN1]azanido-κN}potassium(I)
Authors: Toney Sydney E. , Hillesheim Patrick C. , Guillet Gary L.
Published: August 2016

The title complex, [K(C11H22N3Si2)(C12H24O6)], contains a single K+cation coordinated by a monoanionic (6-trimethylsilylaminopyridin-2-yl)(trimethylsilyl)azanide (HL) ligand and an 18-crown-6 ligand. One SiMe3group in HLis disordered over two positions, with an occupancy ratio of 0.727 (7):0.273 (7). The K+cation is eight-coordinated, distributed between the pyridyl and azanide N atoms of HL, forming a four-membered ring, and a κ618-crown-6 ligand. The complex is best described as a contact ion pair and, unlike other similar literature examples, this complex does not dimerize. No intermolecular hydrogen bonding is observed in the crystal structure, likely indicating that weak electrostatic interactions are the dominant feature directing the crystal packing.
Mentoring the morally courageous: a relational cultural perspective
Authors: Simola Sheldene
Published: August 2016

Purpose

The purpose of this paper is to elucidate the implications of relational cultural theory (RCT) for mentoring individuals who have enacted moral courage.

Design/methodology/approach

Overviews of the construct of moral courage, the nature of work-related mentoring and RCT are provided. Subsequently, the relevance and implications of RCT for understanding moral courage-related suffering, and for supporting the growth, resilience and vitality of those who have enacted moral courage are discussed.

Findings

Within RCT, moral courage-related suffering is located in disconnection, invalidation and isolation for which sufferers also feel held at fault. Self-protective behaviors, including disavowal of self, can perpetuate this suffering.

Practical implications

Five insights from RCT for supporting the growth, resilience and vitality of individuals following acts of moral courage are elaborated, including affirming efforts to activate supportive relationships; demonstrating “radical respect”; facilitating voice; engaging through mutuality and fluid expertise; and, reframing resilience.

Social implications

The dearth of attention to ways of supporting those who suffer following acts of moral courage reflects previously documented findings about the short-shrift given to issues of human health and sustainability in organizations and organizational research. Implications for policy, practice and education are described.

Originality/value

This paper extends the RCT perspective in mentoring, and addresses an important gap in the moral courage literature, namely, the identification of a theoretically grounded approach through which to support the growth, resilience and vitality of individuals who have enacted moral courage.
Proactive personality and citizenship performance
Authors: Jawahar I.M. , Liu Yongmei
Published: August 2016

Purpose

The purpose of this paper is to examine the moderating role of political skill in the relationship between proactive personality and citizenship performance, as mediated by career satisfaction.

Design/methodology/approach

The authors collected data from a diverse sample of 356 employees, and tested a moderated mediation model, in which proactive personality and political skill jointly impact career satisfaction, which in turn impacts citizenship performance.

Findings

The results indicate that career satisfaction mediates the relationship between proactive personality and two forms of citizenship performance, citizenship toward supervisor, and job/task conscientiousness. Political skill moderates these mediated relationships such that proactive individuals who are also politically skilled are more likely to demonstrate greater citizenship toward supervisor and job/task conscientiousness via increased career satisfaction.

Research limitations/implications

The study suggests that proactive employees, due to their enhanced career satisfaction, tend to demonstrate greater organizational citizenship. Such positive tendencies are enhanced when proactive employees are equipped with political skill. Limitations include the use of cross-sectional design and single source data.

Practical implications

Organizations and human resources managers should be aware of the importance of personal career satisfaction and interpersonal competency in building organizational citizenship. Organizations may facilitate citizenship performance by recruiting individuals high in proactive personality and political skill.

Originality/value

Prior research has typically considered career satisfaction as an outcome variable. The authors examine career satisfaction as an intermediate variable leading to citizenship performance. The authors also examine the contingent effect of proactive personality.
What about time? Examining chronological and subjective age and their relation to work motivation
Authors: Akkermans Jos , de Lange Annet H. , van der Heijden Beatrice I.J.M. , Kooij Dorien T.A.M. , Jansen Paul G.W. , Dikkers Josje S.E.
Published: August 2016

Purpose

The aging workforce is becoming an increasingly important topic in today’s labor market. However, most scientific research and organizational policies focus on chronological age as the main determinant of successful aging. Based on life span developmental theories – primarily socioemotional selectivity theory and motivational theory of life span development – the purpose of this paper is to test the added value of using subjective age – in terms of remaining opportunities and remaining time – over and above chronological age in their associations with motivation at work and motivation to work.

Design/methodology/approach

Workers from five different divisions throughout the Netherlands (n=186) from a taxi company participated in the survey study.

Findings

The results from the regression analyses and structural equation modeling analyses support the hypotheses: when subjective age was included in the models, chronological age was virtually unrelated to workers’ intrinsic motivation, extrinsic motivation, and motivation to continue to work for one’s organization. Moreover, subjective age was strongly related to work motivation. Specifically, workers who perceived many remaining opportunities were more intrinsically and extrinsically motivated, and those who perceived a lot of remaining time were more motivated across the board.

Originality/value

The findings indicate that subjective age is an important concept to include in studies focussing on successful aging, thereby contributing to life span developmental theories. Further implications for research and practice are discussed.
Yeayyy.com: venturing into mobile app business
Authors: Sarkam Saida Farhanah , Khadijah Mohd Ghanie Siti , Muhamad Nur Sa’adah , Akmaliah Adham Khairul
Published: August 2016

Subject area

“Starting up a new company” and “development of technology-based venture”.

Study level/applicability

The target audiences for this study are advanced business or non-business undergraduate students and MBA students taking courses of entrepreneurship, management of innovation and organization theory and design.

Case overview

Yeayyy.com was a private limited company based in Bandar Baru Bangi, Selangor, a township located about 30 km south of Kuala Lumpur. It was founded by Mr Hazmin in early 2010 with a seed funding of RM150,000 (about US$50,000). By the end of 2014, its core businesses include developing mobile application (app), software and website, as well as conducting information technology (IT) training. The company had developed its own animation cartoon, Oolat Oolit, and had commercialized several mobile app inventions. These mobile apps include a Jawi (traditional Malay writing system) app, mobile games and Facebook apps which were compatible with most mobile operating systems. Since its inception, Yeayyy.com had aspired to follow the footsteps of the internationally acclaimed Malaysian home-grown animation production house, Les’ Copaque, which had produced the popular Upin Ipin series. Similar to Les’ Copaque, Yeayyy.com also planned to commercialize its in-house characters into TV series and to market related merchandises, along with its collaborative partner, CikuTree Studio. However, by the end of 2014, the company’s seed funding had depleted, thus forcing Mr Hazmin to strategize for the company’s future.

Expected learning outcomes

Understanding the process of entrepreneurship and technology-based venture development enables case analysts to apply the concepts in many situations involving business opportunities and company development.

Subject code

CSS:3 Entrepreneurship.