bluuebunny/crossref_metadata_2025 huggingface dataset:
The Future of Freshwater in Shatt Al- Arab River (Southern Iraq)
Authors: Al-Asadi Safaa A. R.
Published: May 2017

This study uses data from the current rate of population growth, agricultural development and effects of climate change to estimate the future of water demand and the amount of available water in the Shatt Al-Arab River basin. The Shatt Al-Arab River will be facing a freshwater deficit as a result of the decrease of water received from its tributaries. Currently, the river receives freshwater from the Tigris only, as a result to dam construction projects on the tributaries remaining. In 2040, it is expected that the freshwater from the Tigris will not be available to the Shatt Al-Arab; therefore the intrusion of seawater into the river will increase. This may cause a gradual change of water quality in the river from freshwater to seawater. When the Shatt Al-Arab River loses freshwater from all its tributaries the seawater will progress further from Persian Gulf towards the upstream.
Medicinal Plant Use Influenced by Health Care Service in Mestizo and Indigenous Villages in the Peruvian Amazon
Authors: Toda Miki , Masuda Misa , Rengifo Elsa L.
Published: June 2017

Medicinal plants, as a type of non-timber forests (NTFP), have been expected to support the livelihoods of people globally, especially in rural and forest areas in developing nations. As medicinal plants occupy a unique position, with direct repercussions for people’s health and as a potential income resource, it is necessary to take the interaction with, and influence of, modern medicine into account when they are considered as a NTFP. This study pursued the influence of the health care service on medicinal plant utilization in mestizo and indigenous villages near secondary population agglomerations in the Peruvian Amazon. The study found some influence of the health care services on medicinal plant use in the study site, indicating that 1) medicinal plants are not necessarily a highly dependable approach for health care, 2) there are insufficient conditions for the development of a commercial market for medicinal plants, and 3) mestizo and indigenous households have similar health care utilization behaviours, although indigenous households are more affected by modern medicine, especially health care insurance, than the mestizo households. The health care service is an important factor for medicinal plant use for both health and livelihood. Without considering this factor, the potential of medicinal plants as NTFP cannot be fully understood.
Causes and Effects of Cost Overrun on Construction Project in Bahrain: Part I (Ranking of Cost Overrun Factors and Risk Mapping)
Authors: Abusafiya Hedaya A. M. , Suliman Saad M. A.
Published: May 2017

Cost performance is one of the basic criteria for measuring construction project success. Despite its proven importance it is not uncommon to see a construction project failing to achieve its objectives within the specified cost. The paper attempts to identify the major causes of cost overrun in Bahrain construction sector, and to assess the effect of these causes on cost overrun.  A list of these causes was collected through an extensive literature review, historical construction projects records and expert opinions. In total 45 factors were short-listed to be made part of questionnaire used in a survey conducted with representatives from local contracting, consulting, and client firms. Findings are presented in form of tables that classify cost overrun factors, and their ranking. The overall results showed that frequent design changes, mistakes during construction, and schedule delay were considered as the most important factors of cost overrun causes in Bahrain construction industry.
Mineral Profile of Children’s Fast Food Menu Samples
Authors: Ruiz-de-Cenzano Manuela , Rochina-Marco Arancha , López-Salazar Óscar , Cervera Maria Luisa , de la Guardia Miguel
Published: May 2017

Children’s fast food menus, including hamburgers served with french fries, dessert, and a soft drink, were analyzed to obtain the mineral profile of trace elements. The developed analytical methodology involved sample digestion under pressure inside a microwave oven with a mixture of HNO3 and H2O2 and inductively coupled plasma-optical emission spectrometry. The method was validated by carrying out the analysis of certified reference materials (NIST 1570a spinach leaves, NCS ZC73016 chicken, and NIST 1568a rice flour) and using recovery experiments. Repeatability was verified by analyzing replicate samples. Twenty-six elements were studied, 12 of which—aluminum, barium, calcium, copper, iron, potassium, lithium, magnesium, manganese, sodium, strontium, and zinc—were quantitatively determined. Results were compared with other studies of fast food and children’s menus published in the literature, and the nutritional value of samples was assessed with dietary intake guidelines.
Integrating HIV and substance use services: a systematic review
Authors: Haldane Victoria , Cervero‐Liceras Francisco , Chuah Fiona LH , Ong Suan Ee , Murphy Georgina , Sigfrid Louise , Watt Nicola , Balabanova Dina , Hogarth Sue , Maimaris Will , Buse Kent , Piot Peter , McKee Martin , Perel Pablo , Legido‐Quigley Helena
Published: May 2017

Introduction: Substance use is an important risk factor for HIV, with both concentrated in certain vulnerable and marginalized populations. Although their management differs, there may be opportunities to integrate services for substance use and HIV. In this paper we systematically review evidence from studies that sought to integrate care for people living with HIV and substance use problems.

Methods: Studies were included if they evaluated service integration for substance use and HIV. We searched multiple databases from inception until October 2015. Articles were screened independently by two reviewers and assessed for risk of bias.

Results and discussion: 11,057 records were identified, with 7616 after removal of duplicates. After screening titles and abstracts, 51 met the inclusion criteria. Integration models were categorized by location (HIV, substance use and other facilities), level of integration from mirco (integrated care delivered to individuals) to macro (system level integrations) and degree of integration from least (screening and counselling only) to most (care for HIV, substance use and/or other illnesses at the same facility). Most reported descriptive or cohort studies; in four randomized control trials integrated activities improved patient outcomes. There is potential for integrating services at all facility types, including mobile health services. While services offering screening only can achieve synergies, there are benefits from delivering integrated treatment for HIV and substance use, including ease of referral to other mental health and social services.

Conclusions: Our review used a wide range of databases and conference archives to increase representation of papers from low‐ and middle‐income countries. Limitations include the overrepresentation of studies from the United States, and the descriptive nature of the majority of papers. The evidence reviewed shows that greater integration offers important benefits in both patient and service outcomes but further research and outcome reporting is needed to better understand innovative and holistic care models at the complex intersection of substance use and HIV services.
Delivering HIV care in challenging operating environments: the MSF experience towards differentiated models of care for settings with multiple basic health care needs
Authors: Ssonko Charles , Gonzalez Lucia , Mesic Anita , da Fonseca Marcio Silveira , Achar Jay , Safar Nadia , Martin Beatriz , Wong Sidney , Casas Esther C.
Published: May 2017

Introduction: Countries in the West and Central African regions struggle to offer quality HIV care at scale, despite HIV prevalence being relatively low. In these challenging operating environments, basic health care needs are multiple, systems are highly fragile and conflict disrupts health care. Médecins Sans Frontières (MSF) has been working to integrate HIV care in basic health services in such settings since 2000. We review the implementation of differentiated HIV care and treatment approaches in MSF‐supported programmes in South Sudan (RoSS), Central African Republic (CAR) and Democratic Republic of Congo (DRC).

Methods: A descriptive analysis from CAR, DRC and RoSS programmes reviewing methodology and strategies of HIV care integration between 2010 and 2015 was performed. We describe HIV care models integrated within the provision of general health care and highlight best practices and challenges.

Results: Services included provision of general health care, with out‐patient care (range between countries 43,343 and 287,163 consultations/year in 2015) and in‐patient care (range 1076–16,595 in 2015). By the end of 2015 antiretroviral therapy (ART) initiations reached 12–255 patients/year. A total of 1101 and 1053 patients were on ART in CAR and DRC, respectively. In RoSS 186 patients were on ART when conflict recommenced late in 2013. While ART initiation and monitoring were mostly clinically driven in the early phase of the programmes, DRC implemented CD4 monitoring and progressively HIV viral load (VL) monitoring during study period. Attacks to health care facilities in CAR and RoSS disrupted service provision temporarily. Programmatic challenges include: competing health priorities influencing HIV care and need to integrate within general health services. Differentiated care approaches that support continuity of care in these programmes include simplification of medical protocols, multi‐month ART prescriptions, and community strategies such as ART delivery groups, contingency plans and peer support activities.

Conclusions: The principles of differentiated HIV care for high‐quality ART delivery can successfully be applied in challenging operating environments. However, success heavily depends on specific adaptations to each setting.
Transformation in pretreatment manifestations of Gaucher disease type 1 during two decades of alglucerase/imiglucerase enzyme replacement therapy in the International Collaborative Gaucher Group (ICGG) Gaucher Registry
Authors: Mistry Pramod K. , Batista Julie L. , Andersson Hans C. , Balwani Manisha , Burrow Thomas Andrew , Charrow Joel , Kaplan Paige , Khan Aneal , Kishnani Priya S. , Kolodny Edwin H. , Rosenbloom Barry , Scott C. Ronald , Weinreb Neal
Published: June 2017

This study tests the hypothesis that the prevalence of severe clinical manifestations in Gaucher disease type 1 (GD1) patients at the time of treatment initiation has changed since alglucerase/imiglucerase enzyme replacement therapy (ERT) was approved in the United States (US) in 1991. US alglucerase/imiglucerase‐treated GD1 patients from the International Collaborative Gaucher Group Gaucher Registry clinicaltrials.gov NCT00358943 were stratified by age at ERT initiation (<18, 18 to <50, ≥50 years), era of ERT initiation (1991‐1995, 1996‐2000, 2001‐2005, 2006‐2009), and splenectomy status pre‐ERT. Prevalence of splenectomy decreased dramatically across the eras among all age groups. Bone manifestations were more prevalent in splenectomized patients than non‐splenectomized patients in all age groups. Prevalence of bone manifestations differed across eras in certain age groups: non‐splenectomized patients had a lower prevalence of ischemic bone events (pediatric patients) and bone crisis (pediatric patients and adults 18 to <50 years) in later eras; splenectomized adult (18 to <50 years) patients had a lower prevalence of ischemic bone events and bone crisis in later eras. Over two decades after the introduction of ERT, the prevalence of splenectomy and associated skeletal complications has declined dramatically. Concomitantly, the interval between diagnosis and initiation of ERT has decreased, most strikingly in pediatric patients who have the most severe disease. Together, these findings suggest that since the introduction of alglucerase/imiglucerase ERT, optimal standard of care has become established in the US to prevent destructive complications of GD1.
The Effect of Drug Loading on Micelle Properties: Solid‐State NMR as a Tool to Gain Structural Insight
Authors: Callari Manuela , De Souza Paul L. , Rawal Aditya , Stenzel Martina H.
Published: June 2017

The present study highlights the importance of understanding the structural changes of micelles induced by drug loading on their physico‐chemical properties. A block copolymer with attached fructose, which interacts with GLUT5 receptor, was used and conjugated with a low and a high amount of platinum drugs. Against expectations, the low‐loading micelle, despite having a less defined morphology and larger nanoparticle size according to TEM, displays higher cellular uptake and higher toxicity. This behaviour can only be understood when elucidating additional information on the structure of micelles. Extensive solid‐state NMR measurements were therefore employed to reveal that the drug loading affected swelling and mobility of core and shell of the micelle. The results obtained from solid‐state NMR spectroscopy could explain all the observations on this system. In summary, solid‐state NMR spectroscopy is an excellent tool to understand the effects of drug loading on the behavior of micelles.
Ultrafast Light‐Driven Substrate Expulsion from the Active Site of a Photoswitchable Catalyst
Authors: Pescher Manuel D. , van Wilderen Luuk J. G. W. , Grützner Susanne , Slavov Chavdar , Wachtveitl Josef , Hecht Stefan , Bredenbeck Jens
Published: June 2017

The photoswitchable piperidine general base catalyst is a prototype structure for light control of catalysis. Its azobenzene moiety moves sterically shielding groups to either protect or expose the active site, thereby changing the basicity and hydrogen‐bonding affinity of the compound. The reversible switching dynamics of the catalyst is probed in the infrared spectral range by monitoring hydrogen bond (HB) formation between its active site and methanol (MeOH) as HB donor. Steady‐state infrared (IR) and ultrafast IR and UV/Vis spectroscopies are used to uncover ultrafast expulsion of MeOH from the active site within a few picoseconds. Thus, the force generated by the azobenzene moiety even in the final phase of its isomerization is sufficient to break a strong HB within 3 ps and to shut down access to the active site.
Elektronische Ursache konkurrierender Mechanismen bei der thermischen Aktivierung von Methan durch das heteronukleare Clusteroxid [Al2ZnO4].+
Authors: Zhou Shaodong , Yue Lei , Schlangen Maria , Schwarz Helmut
Published: June 2017

Die thermischen Gasphasenreaktionen von [Al2ZnO4].+ mit Methan wurden mit FT‐ICR‐Massenspektrometrie und quantenchemischen Rechnungen untersucht. Zwei konkurrierende Mechanismen wurden identifiziert: eine Wasserstoffatomübertragung (hydrogen‐atom transfer, HAT) und ein protonengekoppelter Elektronentransfer (proton‐coupled electron transfer, PCET). Während die PCET‐Reaktion durch den ionischen Charakter der Metall‐Sauerstoff‐Bindung und durch die geometrische Flexibilität des Clusters beeinflusst wird, hängt der HAT‐Prozess interessanterweise von der Polarität der Übergangsstruktur ab. Im Vergleich zu den früher beschriebenen homonuklearen Oxiden [Al2O3].+ und [ZnO].+ reagiert das heteronukleare Oxid [Al2ZnO4].+ mit einer deutlich höheren Chemoselektivität mit Methan. Die elektronischen Ursachen dieses Dotierungseffekts wurden untersucht.
Adsorption of new hydrophobic polyacrylamide on the calcite surface
Authors: Wang Shibin , Li Geng , Li Yang , Guo Jianchun , Zhou Siyan , Yong Sun , Pan Baofeng , Bai Baojun
Published: June 2017

A hydrophobic polyacrylamide (HPAM) was synthesized by aqueous free‐radical chain polymerization to understand the adsorption action of the polymer on the calcite during operating stimulation. The polymer was designed as acrylamide (AM)/2‐acrylamide‐2‐methylpropanesulfonic acid (AMPS)/2‐methacryloyloxyethyl 12‐alkyl dimethyl ammonium bromide (MADA). The structure of the polymer was characterized by Fourier transform infrared spectroscopy. The adsorption properties of the polyacrylamide onto pure calcite was investigated. When we compared the ζ potentials of the calcite particles in the presence and absence of HPAM, the adsorbed amount was affected by different factors, and the adsorption behaviors were examined to determine the adsorption layer. The results of the ζ potential measurements indicated that the particles were negatively charged between pHs of 6 and 12, and the presence of HPAM did not reverse that. Equilibrium adsorption studies showed that the adsorbed amount was affected by the concentration of HPAM, liquid‐to‐solid ratio, calcite particle size, concentration of background ions, and temperature, which were related the adsorption behaviors of HPAM. Hydrogen bonds between HPAM and calcite were important because the adsorbed amount was significantly reduced when the hydrogen bonds were broken by urea. It is necessary to develop a more active reagent that can break the hydrogen bonds and improve the effect of hydraulic fracturing. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45314.
Influence of extremely low frequency magnetic fields on Ca2+ signaling and double messenger system in mice hippocampus and reversal function of procyanidins extracted from lotus seedpod
Authors: Zhang Haihui , Dai Yuanyuan , Cheng Yanxiang , He Yuanqing , Manyakara Zandile , Duan Yuqing , Sun Guibo , Sun Xiaobo
Published: June 2017

This research investigated the influence of extremely low frequency magnetic fields (ELF‐MF; 50 Hz, 8 mT, 4 h per day, for 28 days) on calcium ion signaling and the double messenger system in the hippocampus of mice. Messengers that were studied included: G‐protein, Ins(1,4,5)P3 (IP3), diacylglycerol (DAG), cAMP‐dependent protein kinase (PKA), and Ca2+‐dependent protein kinase C (PKC). The results showed that ELF‐MF caused an increase in the levels of Gi protein, IP3, DAG, PKA and PKC beta, calcium and calmodulin‐dependent protein phosphatase calcineuring (PP2B), and intracellular Ca2+ content, and a decrease in calcium/calmodulin‐dependent protein kinase II (CaMK II) and PKC alpha. In addition, ELF‐MF exposure decreased the level of brain‐derived neurotrophic factor (BDNF), which played a key role in hippocampal neuronal cell death. However, oral administration of procyanidins from lotus seedpod (LSPCs) (especially 90 mg kg−1) significantly recovered these changes, and nearly reached normal levels. All these showed that LSPCs may mediate calcium signal and double messenger system through Ca2+/CaMK II/CREB/BDNF and DG/PKC/MAPK signaling pathways to reverse the alteration caused by ELF‐MF. Bioelectromagnetics. 38:436–446, 2017. © 2017 Wiley Periodicals, Inc.
Ultra‐sensitive fluorescent sensor for intracellular miRNA based on enzyme‐free signal amplification with carbon nitride nanosheet as a carrier
Authors: Liao Xianjiu , Li Zhenzhong , Peng Tingting , Li Jie , Qin Fengying , Huang Zuliang
Published: June 2017

A novel ultra‐sensitive fluorescent sensor for monitoring microRNA (miRNA) in living cells was constructed by utilizing a hybridization chain reaction (HCR) as the signal amplification with a carbon nitride nanosheet (CNNS) as a carrier. The Cy5‐labeled hairpin DNA could be adsorbed onto the surface of CNNS, resulting in fluorescence quenching of Cy5. When treated with complementary miRNA, the fluorescence was recovered because miRNA could efficiently trigger an HCR, which led to the release of the HCR products from the CNNS. This intracellular HCR strategy can be used for ultra‐sensitive monitoring of intracellular miRNA. The main advantages of the proposed method are its simplicity, high sensitivity, high specificity and low toxicity for monitoring low‐level biomarkers.
A new teaching model for demonstrating the movement of the extraocular muscles
Authors: Iwanaga Joe , Refsland Jason , Iovino Lee , Holley Gary , Laws Tyler , Oskouian Rod J. , Tubbs R. Shane
Published: June 2017

The extraocular muscles consist of the superior, inferior, lateral, and medial rectus muscles and the superior and inferior oblique muscles. This study aimed to create a new teaching model for demonstrating the function of the extraocular muscles. A coronal section of the head was prepared and sutures attached to the levator palpebral superioris muscle and six extraocular muscles. Tension was placed on each muscle from a posterior approach and movement of the eye documented from an anterior view. All movements were clearly seen less than that of the inferior rectus muscle. To our knowledge, this is the first cadaveric teaching model for demonstrating the movements of the extraocular muscles. Clin. Anat. 30:733–735, 2017. © 2017Wiley Periodicals, Inc.
Common and distinct components in data fusion
Authors: Smilde Age K. , Måge Ingrid , Næs Tormod , Hankemeier Thomas , Lips Mirjam Anne , Kiers Henk A. L. , Acar Ervim , Bro Rasmus
Published: June 2017

In many areas of science, multiple sets of data are collected pertaining to the same system. Examples are food products that are characterized by different sets of variables, bioprocesses that are online sampled with different instruments, or biological systems of which different genomic measurements are obtained. Data fusion is concerned with analyzing such sets of data simultaneously to arrive at a global view of the system under study. One of the upcoming areas of data fusion is exploring whether the data sets have something in common or not. This gives insight into common and distinct variation in each data set, thereby facilitating understanding of the relationships between the data sets. Unfortunately, research on methods to distinguish common and distinct components is fragmented, both in terminology and in methods: There is no common ground that hampers comparing methods and understanding their relative merits. This paper provides a unifying framework for this subfield of data fusion by using rigorous arguments from linear algebra. The most frequently used methods for distinguishing common and distinct components are explained in this framework, and some practical examples are given of these methods in the areas of medical biology and food science.
Synthesis of Thiazoles Bearing Aryl Enamine/Aza‐enamine Side Chains: Effect of the π‐Conjugated Spacer Structure and Hydrogen Bonding on Photophysical Properties
Authors: Lugovik Kseniya I. , Popova Aleksandra V. , Eltyshev Alexander K. , Benassi Enrico , Belskaya Nataliya P.
Published: June 2017

An efficient synthesis of a new series of di‐ and trisubstituted thiazoles (TZs) bearing aryl enamine side‐chains (ETZs) has been developed and the optical properties of these compounds compared with structural analogues containing the isoelectronic aza‐enamine group (ATZs). Spectral characterization demonstrated the difference in the absorption and fluorescence of the ETZs and ATZs in solution and the emergence of fluorescent ETZs in the solid state. The optimized structural geometries and weak intramolecular interactions, electronic characteristics of the ground and excited states, HOMO and LUMO analyses, changes in electron density after S0 → S1vexcitation and maps of electrostatic potential (MEPs) calculated by means of DFT have allowed us to estimate the particularities of the geometric and electronic structures of the ETZs and ATZs in the ground and excited states. The availability, synthetic simplicity, stability, large Stokes shifts and high sensitivity to the microenvironment (fluorosolvatochromic behaviour) make the obtained TZs a useful platform for the further design and synthesis of new effective compounds for applications in the field of fluorescence imaging.
Three‐dimensional remeshed smoothed particle hydrodynamics for the simulation of isotropic turbulence
Authors: Obeidat Anas , Bordas Stéphane P. A.
Published: June 2017

We present a remeshed particle‐mesh method for the simulation of three‐dimensional compressible turbulent flow. The method is related to the meshfree smoothed particle hydrodynamics method, but the present method introduces a mesh for efficient calculation of the pressure gradient, and laminar and turbulent diffusion. In addition, the mesh is used to remesh (reorganise uniformly) the particles to ensure a regular particle distribution and convergence of the method. The accuracy of the presented methodology is tested for a number of benchmark problems involving two‐ and three‐dimensional Taylor‐Green flow, thin double shear layer, and three‐dimensional isotropic turbulence. Two models were implemented, direct numerical simulations, and Smagorinsky model. Taking advantage of the Lagrangian advection, and the finite difference efficiency, the method is capable of providing quality simulations while maintaining its robustness and versatility.
Expression of Concern: Therapeutic targeting of chemoresistant and recurrent glioblastoma stem cells with a proapoptotic variant of oncolytic herpes simplex virus
Authors: Jahan Nusrat , Lee Jae M. , Shah Khalid , Wakimoto Hiroaki
Published: June 2017

Temozolomide (TMZ) chemotherapy, in combination with maximal safe resection and radiotherapy, is the current standard of care for patients with glioblastoma (GBM). Despite this multimodal approach, GBM inevitably relapses primarily due to resistance to chemo‐radiotherapy, and effective treatment is not available for recurrent disease. In this study we identified TMZ resistant patient‐derived primary and previously treated recurrent GBM stem cells (GSC), and investigated the therapeutic activity of a pro‐apoptotic variant of oHSV (oHSV‐TRAIL) in vitro and in vivo. We show that oHSV‐TRAIL modulates cell survival and MAP Kinase proliferation signaling pathways as well as DNA damage response pathways in both primary and recurrent TMZ‐resistant GSC. Utilizing real time in vivo imaging and correlative immunohistochemistry, we show that oHSV‐TRAIL potently inhibits tumor growth and extends survival of mice bearing TMZ‐insensitive recurrent intracerebral GSC tumors via robust and selective induction of apoptosis‐mediated death in tumor cells, resulting in cures in 40% of the treated mice. In comparison, the anti‐tumor effects in a primary chemoresistant GSC GBM model exhibiting a highly invasive phenotype were significant but less prominent. This work thus demonstrates the ability of oHSV‐TRAIL to overcome the therapeutic resistance and recurrence of GBM, and provides a basis for its testing in a GBM clinical trial.
Rhodopsin T17M Mutant Inhibits Complement C3 Secretion in Retinal Pigment Epithelium via ROS Induced Downregulation of TWIST1
Authors: Xiong Siqi , Yu Yixin , Zhou Xiaoyun , Xia Xiaobo , Jiang Haibo
Published: June 2017

Rhodopsin mutations cause autosomal dominant form of retinitis pigmentosa (RP). T17M rhodopsin predisposes cells to endoplasmic reticulum stress induced apoptosis. However, the pathogenic role of T17M rhodopsin in RP is not completely understood. Complement C3 has a protective role in RP pathogenesis. This study aimed to investigate whether T17M rhodopsin regulates C3 secretion in retinal pigment epithelium. The human retinal pigment epithelial cell line (ARPE‐19) was engineered to overexpress wide‐type (WT) and T17M rhodopsin. Gene expression was detected by RT‐PCR and Western blot analysis. C3 secretion was detected by ELISA. The overexpression of T17M rhodopsin significantly induced ROS and reduced C3 secretion and transcription in ARPE‐19 cells, but ROS scavengers could partially rescue reduced C3 secretion and transcription. Mechanistically, we found that ROS suppressed transcription factor TWIST1 which is responsible for activated transcription of C3. In conclusion, our data provide the first evidence that T17M rhodopsin mutant disrupts C3 secretion via the induction of ROS and the suppression of TWIST1. These findings reveal novel insight into the pathogenic role of mutant rhodopsin in RP. J. Cell. Biochem. 118: 4914–4920, 2017. © 2017 Wiley Periodicals, Inc.
Physiologically Based Pharmacokinetic Modeling for Predicting the Effect of Intrinsic and Extrinsic Factors on Darunavir or Lopinavir Exposure Coadministered With Ritonavir
Authors: Wagner Christian , Zhao Ping , Arya Vikram , Mullick Charu , Struble Kimberly , Au Stanley
Published: June 2017

Management of comorbidities and medications is complex in HIV‐1‐infected patients. The overall objective of this project was to develop separate physiologically based pharmacokinetic (PBPK) substrate models for the protease inhibitors darunavir and lopinavir. These protease inhibitors are used in the treatment of HIV infection. Both darunavir and lopinavir are coadministered with another medication that inhibits cytochrome (CYP) 3A. The current project focused on PBPK modeling for darunavir and lopinavir coadministered with ritonavir. Darunavir and lopinavir PBPK models that accounted for ritonavir CYP3A inhibition effects (linked PBPK models) were developed. The linked PBPK models were then used to predict the effect on darunavir or lopinavir exposure from CYP modulators. In the next step, the predicted effect of hepatic impairment was evaluated. Additional exploratory analyses predicted CYP3A inhibition effects on darunavir or lopinavir exposure in simulated hepatically impaired subjects. The linked PBPK models reasonably predicted darunavir or lopinavir exposure based on simulations with CYP inhibitors or inducers. Exploratory simulations using the linked darunavir or lopinavir PBPK models indicated CYP3A inhibition may further increase darunavir or lopinavir exposure in patients with hepatic impairment.
Amorphous zinc borate as a simple standard for baseline correction in Raman spectra
Authors: Sanz‐Arranz Aurelio , Manrique‐Martinez Jose A. , Medina‐Garcia Jesus , Rull‐Perez Fernando
Published: June 2017

In this paper, our research group proposes a simple solution to a usual problem that appears in the Raman analysis of some substances, which is the presence of weak Raman signals, probably in combination with a high‐intensity luminescence background, affected by the presence of distortions in the baseline. Under this condition, the spectroscopist has to face spectra hard to edit and correct and thus hard to study. There are already some standard solutions that allow the correction of spectra from relative intensity to absolute intensity that also solves this problem and also allow quantitative analyses. But these solutions imply expensive standards or devices that could not be a worthy option when not working in absolute intensity or the Raman analyses stay at qualitative level and a quantitative study is not needed. The alternative Do It Yourself solution proposed in this paper is based on the use of amorphous zinc borate, an easy‐to‐find substance, which after a simple processing allows us to correct the baseline of Raman spectra qualitatively, offering a useful and economic reference when an absolute intensity correction is not needed. In order to evaluate the effectiveness of this procedure, some spectra were corrected using amorphous zinc borate and then compared the signal‐to‐noise ratio of some Raman signals before and after this correction. Copyright © 2017 John Wiley & Sons, Ltd.
Thin‐layer chromatography–surface‐enhanced Raman spectroscopy and chemometric tools applied to Pilsner beer fingerprint analysis
Authors: Soares Frederico Luis Felipe , Ardila Jorge Armando , Carneiro Renato Lajarim
Published: June 2017

This work proposes a novel use of thin‐layer chromatography with detection by surface enhancement Raman spectroscopy (SERS) to generate chromatographic and spectral fingerprints of complex samples, aiming toward samples classification. Ten commercial beer brands were analyzed in order to verify clusters related to each brand and the brewery location. The samples were eluted in thin‐layer chromatography plates and sprayed by gold nanoparticles colloidal solution using a simple and cheap lab‐made apparatus. The plates were analyzed by SERS, so, at the end of the measurement, one SERS‐chromatogram matrix was acquired for each sample. The high sensitivity of the SERS analysis allows the detection of compounds in low concentrations, unseen via common thin‐layer chromatography detection procedures, increasing the information for fingerprint analyses. Because of the high complexity of the sample, coelution problems and slight shifts in chromatographic peaks might appear in this kind of analysis; it was necessary to use chemometric tools for data analysis. Two chemometric methods of data deconvolution were compared, multivariate curve resolution–alternating least squares and independent component analysis. From the chromatographic peaks recovered by both methods, it was possible to perform a fingerprint analysis using principal component analysis, which allowed identifying patterns among the samples according to the brands and brewery location of Pilsner beers produced in Brazil. Copyright © 2017 John Wiley & Sons, Ltd.
External validation of the Arterial Based Complexity (ABC) scoring system in renal tumors treated by minimally invasive partial nephrectomy
Authors: Gu Liangyou , Ma Xin , Li Hongzhao , Yao Yuanxin , Xie Yongpeng , Chen Luyao , Gao Yu , Zhang Xu
Published: June 2017

Objective

To assess the role of the Arterial Based Complexity (ABC) scoring system in predicting clinically relevant outcomes of a minimally invasive partial nephrectomy (MIPN).

Patients and Methods

We retrospectively reviewed 350 consecutive patients who underwent a MIPN between 2013 and 2014. Tumor complexity was evaluated according to the ABC scoring system. Complications, surgical, and renal outcomes were recorded.

Results

There were respectively 36 (10.3%), 229 (65.4%), 43 (12.3%), and 42 (12.0%) patients in category 1, 2, 3S, 3H. Multivariate regression showed category assignment was associated with warm ischemia time (P < 0.001), estimated blood loss (P = 0.001), and operative time (P = 0.032). On multivariate analyses, tumor size was the only independent predictor of overall (P = 0.035) and minor (P = 0.032) complications, but ABC category failed to predict complications (P > 0.05 for all). For renal function, ABC category failed to predict postoperative estimated glomerular filtration rate at 1 day and 6 months (P > 0.05 for both).

Conclusions

In MIPN, the ABC scoring system predicted a prolonged warm ischemia time and operative time, and an added estimated blood loss. This scoring system was not a predictor for the occurrence of complications and postoperative renal function.
Comparison of sporadic and FAP‐associated desmoid‐type fibromatoses
Authors: Koskenvuo Laura , Ristimäki Ari , Lepistö Anna
Published: June 2017

Background and Objectives

Desmoid‐type fibromatosis is a rare disease of which 7.5‐16% have been reported to be related to familial adenomatous polyposis (FAP). We sought to compare the characteristics and treatment of sporadic and FAP‐related desmoid‐type fibromatoses.

Methods

Altogether 220 patients were included in the study after receiving a diagnosis of desmoid‐type fibromatosis by the Pathology Department of Helsinki University Hospital, with adequate follow‐up. Patients were included from January 1, 1980 until April 30, 2015.

Results

FAP‐related tumors were found in 22 (10%) patients. FAP‐related desmoid‐type fibromatoses were larger, more commonly multiple, and more often intra‐abdominally situated. Surgery was the treatment of choice for 179 (90%) of the sporadic patients and for 18 (82%) of FAP‐related patients. Resections with non‐involved margins (R0) were more common in sporadic desmoid‐type fibromatoses (55% vs. 23%, P = 0.048). The risk of recurrence was 25% in sporadic‐ and 44% in the FAP‐related group. Three (14%) patients with FAP‐related desmoid‐type fibromatoses died from the disease.

Conclusions

The predictors for FAP occurrence among desmoid tumor patients are large tumor size, intra‐abdominal location, multiple tumors, and patient's young age. Desmoid‐type fibromatosis patients suffer a high recurrence rate, also among those experiencing sporadic tumors, but the risk of death due to the tumor is low. Conversely, desmoid disease represents a substantial cause of death among FAP patients.
Differential item functioning in the Unified Dyskinesia Rating Scale (UDysRS)
Authors: Luo Sheng , Liu Yuanyuan , Teresi Jeanne A. , Stebbins Glenn T. , Goetz Christopher G.
Published: June 2017

Objective:

Test if differential item functioning due to gender, age, race/ethnicity, or education impacts Unified Dyskinesia Rating Scale scores.

Background:

Testing rating scales for differential item functioning is a core validation step. If differential item functioning exists, interpretation of item scores must consider secondary influences on dyskinesia ratings.

Methods:

Using Unified Dyskinesia Rating Scale translation databases (N = 3,132), we tested uniform and nonuniform differential item functioning. We required confirmation by two independent methods and considered differential item functioning pertinent if McFadden pseudo R2magnitude statistics exceeded negligible ratings.

Results:

No age, race/ethnicity, or education nonuniform differential item functioning was identified. Gender nonuniform differential item functioning occurred for 2 items, both with negligible magnitude. Gender, race, and education uniform differential item functioning was observed for multiple items, all with negligible magnitude.

Conclusions:

The Unified Dyskinesia Rating Scale items effectively capture dyskinesia severity without pertinent gender, age, race/ ethnicity, or education influence. © 2017 International Parkinson and Movement Disorder Society
Improved respiratory self‐navigation for 3D radial acquisitions through the use of a pencil‐beam 2D‐T2‐prep for free‐breathing, whole‐heart coronary MRA
Authors: Coristine Andrew J. , Chaptinel Jerome , Ginami Giulia , Bonanno Gabriele , Coppo Simone , van Heeswijk Ruud B. , Piccini Davide , Stuber Matthias
Published: June 2017

Purpose

In respiratory self‐navigation (SN), signal from static structures, such as the chest wall, may complicate motion detection or introduce post‐correction artefacts. Suppressing signal from superfluous tissues may therefore improve image quality. We thus test the hypothesis that SN whole‐heart coronary magnetic resonance angiography (MRA) will benefit from an outer‐volume suppressing 2D‐T2‐Prep and present both phantom and in vivo results.

Methods

A 2D‐T2‐Prep and a conventional T2‐Prep were used prior to a free‐breathing 3D‐radial SN sequence. Both techniques were compared by imaging a home‐built moving cardiac phantom and by performing coronary MRA in nine healthy volunteers. Reconstructions were performed using both a reference‐based and a reference‐independent approach to motion tracking, along with several coil combinations. Signal‐to‐noise ratio (SNR) and contrast‐to‐noise ratio (CNR) were compared, along with vessel sharpness (VS).

Results

In phantoms, using the 2D‐T2‐Prep increased SNR by 16% to 53% and mean VS by 8%; improved motion tracking precision was also achieved. In volunteers, SNR increased by an average of 29% to 33% in the blood pool and by 15% to 25% in the myocardium, depending on the choice of reconstruction coils and algorithm, and VS increased by 34%.

Conclusion

A 2D‐T2‐Prep significantly improves image quality in both phantoms and volunteers when performing SN coronary MRA. Magn Reson Med 79:1293–1303, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Cranial Variation and Biodistance in Three Imperial Roman Cemeteries
Authors: Hens S. M. , Ross A. H.
Published: June 2017

Ancient Roman populations are expected to exhibit considerable biological variation because of extensive trade networks and migration patterns throughout Europe and the circum‐Mediterranean. The purpose of this research is to examine regional biological variation in Italy during imperial Roman times (1st to 3rd centuries ad) using three samples exhibiting distinctive class and economic systems. The individuals buried at Isola Sacra and Velia represent middle‐class tradesmen and merchants from coastal port populations from Central and Southern Italy, respectively, while the individuals from Castel Malnome represent an inland population near Rome of freed slaves and other lower‐class individuals involved in heavy labour associated with salt production. Data were recorded from 25 three‐dimensional cranial coordinate landmarks and analysed using Procrustes superimposition and associated multivariate statistics in MorphoJ.

Procrustes analysis of variance statistics were unable to detect any significant group differences for centroid size (p = 0.595), but did detect differences in shape (p = 0.0154), suggesting some variation between the three samples. Canonical variates analyses based on Procrustes distance values suitable for small sample sizes indicated that while Castel Malnome was not significantly different from either of the coastal sites (Isola Sacra, p = 0.2071 and Velia, p = 0.8015), Isola Sacra and Velia were significantly different (p = 0.0119). The similarity of Castel Malnome to the other sites may reflect inherent heterogeneity in the sample, as it represents a group of freed slaves likely originating from various geographic locations. The separation of the two coastal sites is not unexpected, as Velia's location was influenced by an influx of Greek populations in the southern Italian Peninsula. This work supports previous studies using traditional craniometrics and dental metrics showing group similarity across the Italian Peninsula and a separation between more northern and southern groups. Copyright © 2017 John Wiley & Sons, Ltd.
One in two cancer patients is significantly distressed: Prevalence and indicators of distress
Authors: Mehnert A. , Hartung T.J. , Friedrich M. , Vehling S. , Brähler E. , Härter M. , Keller M. , Schulz H. , Wegscheider K. , Weis J. , Koch U. , Faller H.
Published: June 2017

Objective

Psychological distress is common in cancer patients, and awareness of its indicators is essential. We aimed to assess the prevalence of psychological distress and to identify problems indicative of high distress.

Methods

We used the distress thermometer (DT) and its 34‐item problem list to measure psychological distress in 3724 cancer patients (mean age 58 years; 57% women) across major tumor entities, enrolled in an epidemiological multicenter study. To identify distress‐related problems, we conducted monothetic analyses.

Results

We found high levels of psychological distress (DT ≥ 5) in 52% of patients. The most prevalent problems were fatigue (56%), sleep problems (51%), and problems getting around (47%). Sadness, fatigue, and sleep problems were most strongly associated with the presence of other problems. High distress was present in 81.4% of patients reporting all 3 of these problems (DT M = 6.4). When analyzing only the subset of physical problems, fatigue, problems getting around, and indigestion showed the strongest association with the remaining problems and 76.3% of patients with all 3 problems were highly distressed (DT M = 6.1).

Conclusions

Our results show a high prevalence of psychological distress in cancer patients, as well as a set of problems that indicate the likely presence of other problems and high distress and can help clinicians identify distressed patients even if no routine distress screening is available.
Synthesis of Multifunctional Silanes and Their Coordination‐Driven Aggregation with Lanthanide Ions
Authors: Gou Zhiming , Zuo Yujing , FengZ Shengyu
Published: June 2017

Silanes possess unique physicochemical properties because of five empty 3d orbitals in their silicon atoms. However, traditional synthesis methods for functional silanes are tedious, costly, and feature low conversion rates. In this work, diverse functional silanes were accurately synthesized with simple and efficient routes, and they were further applied to synthesize nanomaterials. The syntheses were performed in simple vials by utilizing thiol and alkene or alkyne silanes as raw materials at a 1:1 or 2:1 ratio of thiol to unsaturated silanes, respectively. Structures and photophysical properties of obtained products were thoroughly characterized by Fourier transform infrared spectroscopy, nuclear magnetic resonance, liquid chromatography–mass spectrometry, and fluorescence spectrophotometry. A series of silicon‐containing products were synthesized to enrich the library of silicon‐based materials, and a fundamental research was conducted to understand reactions and product characters. 2‐((3‐(Trimethylsilyl)propyl)thiol)succinic acid (Te‐3) was selected as starting molecule to coordinate with lanthanide ions, and coordinate complexes formed regular nanorods, with some forming branched structures and showing strong luminescence of lanthanide ions. Novel aggregation of Te‐3 complexes was characterized and discussed. This work benefits understanding and preparation of metal–organic complex nanomaterials.
Role of the Crystal Lattice Constants and Band Structures in the Optoelectronic Spectra of CdGa2S4 by DFT Approaches
Authors: Rahnamaye Aliabad H. A. , Vaezi Hamide , Basirat Shiva , Ahmad Iftikhar
Published: June 2017

The electronical and optical properties of CdGa2S4 under high pressures were studied using the full potential linearized augmented plane wave (FP‐LAPW) method within the GGA and mBJ exchange correlation potentials from 0.0 to 16.92 GPa. The obtained results show that the lattice constants, bandgap values, and optoelectronic properties are sensitive to applied external pressures. The mBJ results indicate that the bandgap increases and the static dielectric constants decrease with increasing the pressure. The two none zero dielectric tensor components show considerable anisotropy between the perpendicular and parallel components. The maximum absorption for x direction in all pressures takes place in vacuum UV region. Also, the plasma frequency shifts to the higher energies with increasing the pressure for application in optical devices. The calculated results by mBJ are in close agreement with the experimental values.
In Search of ‘Red Lines’ in the Jurisprudence of the ECtHR on Fair Trial Rights
Authors: Stein Shlomit
Published: June 2017

The use of proportionality and balancing by the European Court of Human Rights (ECtHR) is inconsistent and does not provide clear guidelines from which policies can be drafted that could strike a fair balance between individual rights and public interests while not impairing the essence of the rights at stake. While ad hoc and unprincipled balancing may be justified on the theoretical level, on the practical level a policymaker seeking to understand which infringements constitute clear violations of the European Convention on Human Rights (ECHR) is left confused. This article adds clarity to this state of bewilderment by breaking down several aspects of the ECHR rights to a fair trial into clear-cut ‘red lines’, or minimum thresholds of protection. Overstepping those could result in a violation of the right concerned. Identifying these red lines is intended to assist legislators and policymakers in drafting laws and policies that conform with the obligations of their states under the ECHR, and to instruct policymakers outside the member states of the Council of Europe. Because of its unique characteristics, as well as the volume and breadth of its case law, the jurisprudence of the ECtHR can be a lodestone for the consolidation of an international human rights community based on shared values. The unique contribution of this article is the assessment of ECtHR jurisprudence not only on its own merits, but also in comparison with the jurisprudence of other international courts.