bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydrating the Bispropionate Notch in Malaria Pigment: A New Structural Motif in the Iron(III)(deuteroporphyrin) Dimer
Authors: Kuter David , Suárez Liliana , Dodd Erin L. , Noll Bruce C. , Stephens Peter W. , Bohle D. Scott
Published: November 2018

Treating deuterohemin, chloro(deuteroporphyrinato)iron(III), with a non‐coordinating base in DMSO/methanol allows for the isolation of [(deuteroporphyrinato)iron(III)]2, deuterohematin anhydride (DHA), an analogue of malaria pigment, the natural product of heme detoxification by malaria. The structure of DHA obtained from this solvent system has been solved by X‐ray powder diffraction analysis and displays many similarities, yet important structural differences, to malaria pigment. Most notably, a water molecule of solvation occupies a notch created by the propionate side chains and stabilizes a markedly bent propionate ligand coordinated with a long Fe−O bond, and a carboxylate cluster associated with water molecules is generated. Together, these features account for its increased solubility and more open structure, with an increased porphyrin–porphyrin separation. The IR spectroscopic signature associated with this structure also accounts for the strong IR band at 1587 cm−1 seen for many amorphous preparations of synthetic malaria pigment, and it is proposed that stabilizing these structures may be a new objective for antimalarial drugs. The important role of the vinyl substituents in this biochemistry is further demonstrated by the structure of deuterohemin obtained by single‐crystal X‐ray diffraction analysis.
Expression of programmed cell death ligand 1 in non–small cell lung cancer: Comparison between cytologic smears, core biopsies, and whole sections using the SP263 assay
Authors: Munari Enrico , Zamboni Giuseppe , Sighele Giorgia , Marconi Marcella , Sommaggio Marco , Lunardi Gianluigi , Rossi Giulio , Cavazza Alberto , Moretta Francesca , Gilioli Eliana , Caliò Anna , Netto George J. , Hoque Mohammad O. , Martignoni Guido , Brunelli Matteo , Vacca Paola , Moretta Lorenzo , Bogina Giuseppe
Published: November 2018

Background

Evaluation of programmed cell death ligand 1 (PD‐L1) expression can be made on both resection specimens and diagnostic biopsies; however, more than 30% of patients with advanced non–small cell lung cancer (NSCLC) do not have adequate histologic material to perform PD‐L1 assays and require additional biopsies. In addition, in our practice, more than 16% of cases have cytological smears as the only available material. Our aim was to validate the PD‐L1 immunocytochemistry assay on cytological smears and compare its accuracy with the results obtained from tissue cores and whole tumor sections using the clinically relevant cutoff of 50%.

Method

We compared the PD‐L1 staining results of cytological smears to those from tissue cores or whole sections in 50 and 53 NSCLC cases, respectively, using the SP263 assay after scanning hematoxylin and eosin slides.

Results

We found an overall agreement of 90.6% between cytological smears and whole sections; specifically, we found absolute concordance between smears with PD‐L1 expressed in <10% and ≥50% of cells and whole sections with PD‐L1 expressed in <50% and ≥50% of cells, respectively. In addition, slightly lower diagnostic accuracy was found for the cytological smears in comparison with the tissue cores, but the difference was not statistically significant. We found excellent intraobserver and good interobserver agreement in the evaluation of PD‐L1 on smears.

Conclusion

Immunocytochemistry on cytological smears is a reliable method for determination of PD‐L1 at the 50% cutoff when positive cells are <10% or ≥50%; for cases showing PD‐L1 expression in 10% to 49% of cells, additional tissue sampling may be necessary.
The three‐axial gyroscope sensor detects the turning point between opening and closing phases of chewing
Authors: Minami Ichiro , Wirianski Alex , Harakawa Ryosuke , Wakabayashi Noriyuki , Murray Greg M.
Published: November 2018

Most devices measuring the kinematics of masticatory function are cumbersome to setup and not portable. Data collection would be facilitated, particularly in the elderly, if the device used for the objective measurement of mastication was easily transportable and simple to setup. Accelerometers and gyroscope sensors are lightweight and portable and may be useful alternatives. The definition of the turning point between the opening and closing phases of chewing is important for studies of associations between muscle activity and effects of perturbations. Measures of the mediolateral angle (specifically, the mandibular tilt from the lateral view) allow the detection of the turning point between the opening and closing phases. The aim was to determine whether a three‐axial gyroscope sensor can detect the turning point between opening and closing phases of chewing. Fourteen asymptomatic participants chewed gum while the output was recorded from a three‐axial gyroscope sensor (Seiko Epson, Japan) attached to the chin and a 6 degree‐of‐freedom electromagnetic jaw‐tracking device (Pollhemus, USA). Bland–Altman plots were used to assess the matching of the recordings made by the three‐axial gyroscope sensor and the jaw‐tracking device. The turning points between the opening and closing phases of chewing matched closely when recorded by a jaw‐tracking device and when using a three‐axial gyroscope sensor. A three‐axial gyroscope sensor can validly detect the turning point between the opening and closing phases during chewing of gum.
Investigation of the Reaction Pathways of Biomass‐Derived Oxygenate Conversion into Monoalcohols in Supercritical Methanol with CuMgAl‐Mixed‐Metal Oxide
Authors: Galebach Peter H. , Thompson Sean , Wittrig Ashley M. , Buchanan J. Scott , Huber George W.
Published: November 2018

Invited for this month's cover is the group of George Huber at the University of Wisconsin‐Madison. The cover picture shows the chemical intermediates and final products for the catalytic conversion of wood into C2–C6 alcohols over a CuMgAl oxide catalyst in methanol. The Full Paper itself is available at 10.1002/cssc.201801816.
Metastatic clear cell renal carcinoma to the auricular region disguised as a vascular thrombus: Case report
Authors: Valerio Ediel , Goes Ana , Andozia Mariana , Amoedo Mauricio , Porto Gislaine , Saieg Mauro
Published: November 2018

In about 25‐30% of patients with primary renal cell carcinoma, metastasis is not uncommon and usually does not give rise to difficulties in diagnosis. However, its presentation as a subcutaneous mass following an elapse of several years after the initial diagnosis is not only uncommon but may be also mistaken for a thrombus in imaging studies due to its common high vascularization. We present here a case of a 70‐year‐old woman with an oncologic history of renal cell carcinoma who noticed after five years a mass in the auricular region radiologically suggestive of a vascular thrombus. Fine‐needle aspiration cytology showed malignant epithelial cells compatible with metastasis of renal clear cell carcinoma, supported by immunohistochemistry performed on the cell block. This rather uncommon presentation and precise diagnosis by fine‐needle aspiration prompted us to report the case, emphasizing the role of cytopathology as a useful, fast and minimally invasive method for clarifying the neoplastic nature of highly vascularized lesions.
Design and synthesis of simplified speciophylline analogues and β‐carbolines as active molecules against Plasmodium falciparum
Authors: Pierrot David , Sinou Véronique , Bun Sok‐Siya , Parzy Daniel , Taudon Nicolas , Rodriguez Jean , Ollivier Evelyne , Bonne Damien
Published: November 2018

A structure–activity relationship study of active molecules against chloroquine‐resistant Plasmodium falciparum K1 strain is reported. Structurally simplified analogues of antiplasmodial active alkaloids presented similar levels of activity as their corresponding natural products extracted from Guiera senegalensis and Mitragyna inermis with IC50 values on chloroquine‐resistant P. falciparum K1 strain of up to 10.6 μM for spirooxindoles and 13.8 μM for β‐carbolines. The identification of such simpler and cheaper structural analogues is crucial to efficiently study these natural products' action mode as well as developing new cures against malaria.
Dual Functional Half‐Sandwich Ru(II) Complexes: Lysosome‐Targeting Probes and Anticancer Agents
Authors: Liu Zhe , Li JuanJuan , Kong Deliang , Tian Meng , Zhao Yao , Xu Zhishan , Gao Wenyuan , Zhou Yumin
Published: November 2018

It is known that the proposed biologically active form of ruthenium is its oxidation state II other than oxidation state III, and ruthenium complexes offer the potential of a novel mechanism of action, reduced toxicity. Herein, three half‐sandwich RuII complexes [(η6‐p‐cym)Ru(N^N)Cl]PF6 were designed and synthesized. Lysosomes are involved in various aspects of cancer cell immortalization and cell death. Thus, lysosomes are attractive pharmacological targets for selective killing of cancer cells. We demonstrated that Ru2 can accumulate in lysosomes. In addition, A549 cell viability remained at 87.81 % after exposure to Ru2 for 24 h at the working concentration. Meanwhile, Ru2 exhibited relatively high photostability and suitability for long‐term tracking. At increased concentration after 24 h of exposure to the complex toward A549 cell line, Ru2 induced a high apoptotic rate, cell cycle arrest, mitochondrial membrane potential loss, and reactive oxygen species overload. Ru2 integrated the anticancer properties and imaging capabilities and is expected to be developed as a dual functional theranostic agent.
CeO2–δ‐Modified CuFe2O4 with Enhanced Oxygen Transfer as Efficient Catalysts for Selective Oxidation of Fluorene under Mild Conditions
Authors: Huang Xiubing , Wang Peng , Zhang Hean , Guo Zhengwei , Liu Jijia , Lu Guilong , Pang Guangsheng , Wang Ge
Published: November 2018

The design of efficient catalysts for the selective oxidation of sp3 C–H bond with air at low temperature is of great importance to the scientific and industrial community. In this work, we design a CeO2–δ modified CuFe2O4 catalyst by a post‐modification method for the selective oxidation of fluorene under an air atmosphere and N‐hydroxyphthalimide (NHPI) at 60 °C. HRTEM results indicate that CeO2–δ nanoclusters sized around 5 nm are successfully modified on the surface of CuFe2O4. XPS and H2‐TPR results show that CeO2–δ modification would favor oxygen transfer at lower temperature due to the synergetic effect between CuFe2O4 and CeO2–δ with rich Ce3+/Ce4+ couples. The results demonstrate that CuFe2O4@CeO2–δ‐0.05 with 4.20 wt.‐% Ce present the best catalytic performance with 94 % conversion of fluorene and excellent reusability at least five times. It is anticipated that the modification of CeO2–δ nanoclusters on the surface leads to increased oxygen activation and transfer to CuFe2O4, which favors the activation of NHPI to phthalimide‐N‐oxyl (PINO) radicals and exhibits an improved catalytic performance. Our results provide some guidance on the design of efficient catalysts by the surface modification strategy.
Photochemical Synthesis of cis,trans,cis‐1,2,3,4‐Tetrakis(diphenylphosphanyl)buta‐1,3‐diene and Its Metal Coordination
Authors: Prock Johannes , Ehrmann Katharina , Viertl Wolfgang , Pehn Richard , Pann Johann , Roithmeyer Helena , Bendig Marvin , Rodríguez Villalón Alba , Kopacka Holger , Dumfort Alexander , Oberhauser Werner , Clausing Simon T. , Knör Günther , Brüggeller Peter
Published: November 2018

Invited for the cover of this issue is the group of Peter Brüggeller from the University of Innsbruck, Austria. The cover image shows the multi‐step synthesis of dppbd.
Palladium‐Catalyzed Asymmetric Decarboxylative Allylation of Azlactone Enol Carbonates: Fast Access to Enantioenriched α‐Allyl Quaternary Amino Acids
Authors: Serra Massimo , Bernardi Eric , Marrubini Giorgio , De Lorenzi Ersilia , Colombo Lino
Published: November 2018

We report a fast protocol for the synthesis of enantioenriched quaternary 4‐allyl oxazol‐5‐ones. The key step is a Pd‐catalyzed enantioselective Tsuji allylation of azlactone allyl enol carbonates, which can be easily prepared starting from racemic α‐amino acids. The use of (R,R)‐DACH‐phenyl Trost chiral ligand allowed the attainment of the allylated derivatives in very good yields (83–98 %) and with ee up to 85 %. Scaling up the allylation protocol to gram quantities did not affect the yields end ee values. The produced 4‐allyl azlactones can be converted into the corresponding quaternary amino acids or submitted to further synthetic elaborations exploiting the allyl moiety as a handle for the attachment of alkyl and aryl groups. After hydrolysis of the azlactone ring, the zwitterionic amino acids can be attained in enantiopure or nearly optically pure form through only one recrystallization step.
Gold‐Catalyzed Cycloisomerization–Halogenation Sequence of 1,3‐Enyne Esters with NXS: Efficient Synthesis of 5‐Bromo/Iodo Cyclopentenones
Authors: Zhou Yuanyuan , Chen Xianxiao , Yin Dongliang , Ling Yuan , Wang Shifa , Zhang Xiaoxiang , Rao Weidong
Published: November 2018

An efficient synthetic approach for the synthesis of 5‐bromo/iodo‐cyclopentenones containing a C–X (Br, I) stereocenter that relies on gold(I)‐catalyzed cycloisomerization–electrophilic halogenation sequence of 1,3‐enyne esters with N‐bromosuccinimide (NBS) or N‐iodosuccinimide (NIS) is described. This tandem transformation exhibited a broad substrate scope and excellent functional group compatibility, providing a novel protocol for rapid assembly 5‐bromo/iodo‐cyclopentenones in good to excellent yields under mild reaction conditions.
A Direct Method for the Efficient Synthesis of Benzylidene Acetal at Room Temperature
Authors: Reddy Narra Rajashekar , Kumar Rashmi , Baskaran Sundarababu
Published: November 2018

For the first time, a metal‐free direct method has been developed for the efficient synthesis of benzylidene acetal at room temperature using Dowex 50WX8 as a solid acid catalyst and Cl3CCN as a novel water scavenger. At room temperature, a wide variety of aryl and α,β‐unsaturated aldehydes react readily with functionalized 1,2‐ and 1,3‐diols to furnish the corresponding acetals in very good yields. Labile functional groups, like N‐Boc, N‐Cbz, ‐OTBDMS, ‐OBn, ‐N3 and acetonide are found to be stable under the reaction conditions. The versatility of this method is further demonstrated with carbohydrate substrates and optically active diols.
Peer Review of Mendeleev’s 1869 Breakthrough Paper: ‘I Suggest Eliminating the Table…’
Authors: Seeman Jeffrey I.
Published: November 2018

This article describes a document sent in 1982 by Jack Dunitz at the Eidgenössische Technische Hochschule Zürich to Roald Hoffmann at Cornell University, reportedly a Journal of the American Chemical Society peer review of Dmitri Mendeleev’s 1869 submission on the periodic table. Several aspects of the resultant mystery are examined.
Use of a criteria‐based audit to optimize uptake of cesarean delivery in a low‐resource setting
Authors: Mgaya Andrew H. , Kidanto Hussein L. , Nyström Lennarth , Essén Birgitta
Published: November 2018

Objective

To evaluate the impact of a criteria‐based audit (CBA) of obstructed labor and fetal distress on cesarean delivery and perinatal outcomes.

Methods

A cross‐sectional study was performed at a tertiary referral hospital in Tanzania. Data were collected before and after CBA (January 2013–November 2013 and July 2015–June 2016). Outcomes of fetal distress (baseline CBA, n=248; re‐audit, n=251) and obstructed labor (baseline CBA, n=260; re‐audit n=250) were assessed using a checklist. Additionally, 27 960 parturients were assessed using the Robson classification.

Results

Perinatal morbidity and mortality decreased from 42 of 260 (16.2%) to 22 of 250 (8.8%) among patients with obstructed labor after CBA (P=0.012). Cesarean delivery rate decreased for referred term multiparas with induced labor or prelabor cesarean delivery (odds ratio [OR] 0.28, 95% confidence interval [CI] 0.09–0.82). Cesarean delivery rate for preterm pregnancies increased among both referred (OR 1.28, 95% CI 1.02–1.63) and non‐referred (OR 2.78, 95% CI 1.98–3.90) groups. Neonatal distress rate decreased for referred term multiparas (OR 0.72, 95% CI 0.56–0.92), referred preterm pregnancies (OR 0.32, 95% CI 0.25–0.39), and non‐referred preterm pregnancies (OR 0.26, 95% CI 0.18–0.36).

Conclusion

Use of CBA reduced poor perinatal outcomes of obstructed labor and increased uptake of cesarean delivery.
Interaction of lncRNA‐MALAT1 and miR‐124 regulates HBx‐induced cancer stem cell properties in HepG2 through PI3K/Akt signaling
Authors: He Bo , Peng Feng , Li Wei , Jiang Yongfang
Published: November 2018

Background

Hepatitis B virus X protein (HBx) plays a crucial role in initiating and promoting HBV‐induced hepatocellular carcinoma (HCC) development. Reports indicated that HBx promotes cancer stem cell (CSC) generation, which may be associated with HBV‐related HCC. Noncoding RNA miR‐124 and long noncoding RNA (lncRNA)‐metastasis‐associated lung adenocarcinoma transcript 1 (MALAT1) were considered to be involved deeply in the progress of HBx‐related HCC. Hence, the underlying mechanism of miR‐124 and lncRNA‐MALAT1 in regulating HBx‐promoted CSC needs to be studied.

Materials and Methods

In present study, HepG2‐X cell line was induced by transfect HBx into HepG2 cells. Overexpressing of miR‐124 or silencing of lncRNA‐MALAT1 was completed by transfecting miR‐124 mimic or shMALAT1 into HepG2‐X cells. HBx‐induced CSC properties and tumorigenic potential of HepG2 cells were determined by detecting CSC marker expression, colony formation assay, and xenograft tumorigenesis. The mechanism of HBx‐induced CSC properties was explored by PI3K/Akt inhibitor. Interaction of miR‐124 and lncRNA‐MALAT1 was detected by luciferase reporter assay.

Results

HBx promoted CSC properties through upregulating stemness markers and reprogramming proteins, and contributed to tumorigenicity of HepG2‐X cells both in vivo and in vitro. Inhibition of Akt activation blocked the HBx‐stimulated reprogramming proteins and stemness markers. HBx upregulated lncRNA‐MALAT1 expression while downregulating miR‐124 expression in HepG2‐X cells. miR‐124 interacts with lncRNA‐MALAT1 by direct targeting. Overexpression of miR‐124 or silencing of lncRNA‐MALAT1 both blocked HBx‐induced CSC generation, stemness‐related factor activation and tumorigenicity via PI3K/Akt signaling.

Conclusion

Our results demonstrated that miR‐124 interact with lncRNA‐MALAT1 and involve in regulating HBx‐induced CSC properties via PI3K/Akt signaling.
RETRACTED: miR‐625‐5p/PKM2 negatively regulates melanoma glycolysis state
Authors: Zhang Hailin , Feng Cheng , Zhang Mingzi , Zeng Ang , Si Loubin , Yu Nanze , Bai Ming
Published: November 2018

PKM2 plays an important role in cancer glycolysis, however, the link of PKM2 and microRNAs (miRNAs) in melanoma is still unclear. The study will investigate the role of miRNAs in regulating PKM2 mediated melanoma cell glycolysis. We found that high PKM2 expression in melanoma tissues and cell lines was positively associated with glycolysis. Further study indicated that miR‐625‐5p regulated PKM2 expression on mRNA and protein levels in melanoma cells. There was a negative relationship between miR‐625‐5p and PKM2 expression in the clinical melanoma samples. These findings provide an evidence that miR‐625‐5p/PKM2 plays a role in melanoma cell glucose metabolism.
Cellular and molecular mechanisms of sarcopenia: the S100B perspective
Authors: Riuzzi Francesca , Sorci Guglielmo , Arcuri Cataldo , Giambanco Ileana , Bellezza Ilaria , Minelli Alba , Donato Rosario
Published: November 2018

Primary sarcopenia is a condition of reduced skeletal muscle mass and strength, reduced agility, and increased fatigability and risk of bone fractures characteristic of aged, otherwise healthy people. The pathogenesis of primary sarcopenia is not completely understood. Herein, we review the essentials of the cellular and molecular mechanisms of skeletal mass maintenance; the alterations of myofiber metabolism and deranged properties of muscle satellite cells (the adult stem cells of skeletal muscles) that underpin the pathophysiology of primary sarcopenia; the role of the Ca2+‐sensor protein, S100B, as an intracellular factor and an extracellular signal regulating cell functions; and the functional role of S100B in muscle tissue. Lastly, building on recent results pointing to S100B as to a molecular determinant of myoblast–brown adipocyte transition, we propose S100B as a transducer of the deleterious effects of accumulation of reactive oxygen species in myoblasts and, potentially, myofibers concurring to the pathophysiology of sarcopenia.
Baseline reinforcement rate and resurgence of destructive behavior
Authors: Fisher Wayne W. , Saini Valdeep , Greer Brian D. , Sullivan William E. , Roane Henry S. , Fuhrman Ashley M. , Craig Andrew R. , Kimball Ryan T.
Published: November 2018

Concepts from behavioral momentum theory, along with some empirical findings, suggest that the rate of baseline reinforcement may contribute to the relapse of severe destructive behavior. With seven children who engaged in destructive behavior, we tested this hypothesis in the context of functional communication training by comparing the effects of different baseline reinforcement rates on resurgence during a treatment challenge (i.e., extinction). We observed convincing resurgence of destructive behavior in four of seven participants, and we observed more resurgence in the condition associated with high‐rate baseline reinforcement (i.e., variable‐interval 2 s in Experiment 1 or fixed‐ratio 1 in Experiment 2) compared to a low‐rate baseline reinforcement condition. We discuss the implications of these results relative to schedules of reinforcement in the treatment of destructive behavior and strategies to mitigate resurgence in clinical settings.
Performance‐based projection of the climate‐change effects on precipitation extremes in East Asia using two metrics
Authors: Kwon Sang‐Hoon , Kim Jinwon , Boo Kyung‐On , Shim Sungbo , Kim Youngmi , Byun Young‐Hwa
Published: November 2018

This study examines potential benefits of performance‐based multi‐model ensembles (MMEs) in projecting the impacts of climate change on extreme precipitation indices over East Asia (EA) using the data from 19 GCMs in the coupled model intercomparison project 5 (CMIP5). The Taylor skill score is adopted as the measure of the model skills in simulating the spatial and interannual variability of the selected extreme precipitation indices over four EA regions. The overall rank based on the total skill score (TSC) is used to construct two skill‐based MMEs, MME of high‐skill, MMH (MME of low‐skill, MML) that include the top (bottom) seven models, in addition to the simple ensemble of all 19 GCMs (ENS). Inter‐GCM consistency is measured using the signal‐to‐noise ratio (SNR). In the present‐day period, MMH yields higher skill scores than MML and ENS for almost all extreme precipitation indices as well as regions. Regional variations in biases, inter‐model consistency, and TSC are large. The inter‐model consistency is highest for Northern China and Manchuria and is lowest for Southern China. The most notable differences in the key properties of climate change signals from the three MMEs among the three ensembles are that the climate change signals from MMH and ENS exceed the 90% significance level in much larger areas than those from MML. However, the differences in the climate change signals between MMH and MML are generally below the 90% significance level. The SNR of the projected climate change signals shows that MMH yields more consistent climate change signals than ENS/MML. Both the SNR differences and the area in which statistical significance exceed the 90% level suggest that constructing climate change signals from a group of higher‐skill models may yield more reliable projections than constructing MMEs from the entire models or a group of lower‐skilled models.
Analysis of differences in laxities and neutral positions from native after kinematically aligned TKA using cruciate retaining implants
Authors: Roth Joshua D. , Howell Stephen M. , Hull Maury L.
Published: November 2018

One biomechanical goal of kinematically aligned total knee arthroplasty (KA TKA) is to achieve knee laxities and neutral positions that are not different from those of the native knee without soft tissue release. However, replacing the articular surfaces and menisci with implants of discrete sizes and average shapes and resecting the anterior cruciate ligament (ACL) might prevent KA TKA from achieving this goal in the tibiofemoral joint. Accordingly, the objective was to determine whether either or both surgically induced changes cause differences in laxities and/or neutral positions from native using a cruciate retaining implant. Eight laxities and four neutral positions were measured from 0° to 120° flexion in 30° increments in 13 human cadaveric knees in three knee conditions: native, ACL‐deficient, and KA TKA. After KA TKA, 5 of the 40 laxity measures (8 laxities × 5 flexion angles) and 6 of the 20 neutral position measures (4 neutral positions × 5 flexion angles) were statistically different from those of the native knee. The greatest differences in laxities from native after KA TKA occurred at 30° flexion in anterior translation (1.6 ± 2.1 mm increase, p < 0.0001); this difference was 1.7 ± 2.1 mm less than that in the ACL‐d knee (p < 0.0001). The greatest difference in neutral positions from native after KA TKA occurred in anterior–posterior translation at 0° flexion (3.8 ± 1.9 mm anterior, p < 0.0001); this difference was 2.6 ± 1.9 mm greater than that in the ACL‐d knee (p = 0.0002). Clinical Significance: These results indicate that the biomechanical goal of KA TKA is largely realized despite the two surgically induced changes. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 37:358–369, 2019.
Membrane proteome characterization of periodontal ligament cell sets from deciduous and permanent teeth
Authors: Giovani Priscila A. , Salmon Cristiane R. , Martins Luciane , Leme Adriana F. P. , Puppin‐Rontani Regina M. , Mofatto Luciana S. , Nociti Francisco H. , Kantovitz Kamila R.
Published: November 2018

Background

Physiological roles for the periodontal ligament (PDL) include tooth eruption and anchorage, force absorption, and provision of proprioceptive information. Despite the advances in understanding the biology of PDL cells, there is a lack of information regarding the molecular signature of deciduous (DecPDL) and permanent (PermPDL) PDL tissues. Thus, the present study was designed to characterize the membrane proteome of DecPDL and PermPDL cells.

Methods

Primary PDL cells were obtained (n = 6) and a label‐free quantitative proteome of cell membrane‐enriched components was performed. Proteome findings were validated by quantitative polymerase chain reaction and Western blot assays in fresh human tissues (n = 8) and primary cell cultures (n = 6). In addition, confocal microscopy was used to verify the expression of target factors in the PDL cell cultures.

Results

Comparative gene ontology enrichment analysis evidenced that most stickling differences involved “endomembrane system” (PICALM, STX4, and LRP10), “hydrolase activity” (NCSTN and XRCC6), “protein binding” (PICALM, STX4, GPNMB, VASP, extended‐synaptotagmin 2 [ESYT2], and leucine‐rich repeat containing 15 [LRRC15]), and “isomerase activity” (FKBP8). Data are available via ProteomeXchange with identifier PXD010226. At the transcript level, high PICALM in DecPDL and ESYT2 and LRRC15 in PermPDL were confirmed in fresh PDL tissues. Furthermore, Western blot analysis confirmed increased levels of PICALM, LRRC15, and ESYT2 in cells and/or fresh tissues, and confocal microscopy confirmed the trends for PICALM and LRRC15 expression in PDL cells.

Conclusion

We report the first comprehensive characterization of the membrane protein machinery of DecPDL and PermPDL cells, and together, we identified a distinct molecular signature for these cell populations, including unique proteins for DecPDL and PermPDL.
A Randomized Controlled Trial of Group Cognitive Behavioral Treatment for Veterans Diagnosed With Chronic Posttraumatic Stress Disorder
Authors: Sloan Denise M. , Unger William , Lee Daniel J. , Beck J. Gayle
Published: November 2018

Relative to advances in the literature that have examined individual treatment approaches for posttraumatic stress disorder (PTSD), scientific knowledge about group treatment approaches has lagged, resulting in no currently available group treatment for PTSD despite the frequency with which this format is used. Our goal was to build upon the existing literature by examining the efficacy of a group cognitive‐behavioral treatment (GCBT) for PTSD relative to group present‐centered treatment (GPCT). The sample consisted of 198 male veterans with PTSD who were recruited at two Department of Veteran Affairs medical centers and randomly assigned to either GCBT (n = 98) or GPCT (n = 100); both treatments were 14 sessions. Assessments occurred at baseline, midtreatment, posttreatment, and 3‐, 6‐, and 12‐month follow‐ups. Findings indicated significant reductions in PTSD severity and PTSD diagnostic status following treatment for both GCBT, d = 0.97, and GPCT, d = 0.61. In addition, we observed significant reductions for depression symptoms, anxiety symptoms, and functional impairment for both group treatments as well as a reduction in the percentage of veteran participants who met diagnostic status for co‐occurring major depression disorder and generalized anxiety disorder. Notably, these treatment gains were maintained at 12‐month follow‐up. Contrary to expectations, there were no significant differences between treatment conditions. Veterans diagnosed with PTSD were successfully treated using a group approach. Consistent with a growing body of evidence, the findings also suggest GPCT is as equally efficacious as group trauma‐focused treatment. The trial was registered at clinicaltrials.gov (NCT01544088).
Human activities in a tropical Mexican desert: Impact of rainfed agriculture and firewood extraction on vegetation and soil
Authors: Sosa‐Quintero Jessica , Godínez‐Alvarez Héctor
Published: November 2018

The impacts of human activities on temperate and subtropical deserts have been evaluated worldwide. However, data about tropical deserts are scarce. In this study, we evaluated the impacts of rainfed agriculture and firewood extraction on vegetation and soil of abandoned croplands (mesquite cropland and goldeneye cropland) and mesquite shrublands (open‐canopy mesquite and closed‐canopy mesquite) in a tropical Mexican desert. We interviewed peasants to understand their management practices and evaluated vegetation traits and soil properties of sites. We also examined the impacts of land management on vegetation and soil with structural equation modeling. Rainfed agriculture consisted of cultivating crops, fertilizing with manure, and introducing goats to croplands after harvest. Goldeneye cropland had higher canopy cover, vegetation structure, and litter cover than mesquite cropland. However, soil in both croplands was highly compacted with low infiltration rate, organic matter, and nutrient content. Firewood extraction only consisted of removing mesquite branches. Open‐canopy mesquite had lower canopy and litter cover and higher biological soil crust cover than closed‐canopy mesquite. The soil in both shrublands was less compacted with relatively high infiltration rate, organic matter, and nutrient content. Rainfed agriculture decreased soil nutrient content due to removal of native vegetation, plowing, and goat introduction to croplands. In contrast, firewood extraction maintained a relatively high soil nutrient content because branch removal enables the establishment of biological soil crusts, which increased the infiltration rate and nutrient availability. Thus, firewood extraction has a lower impact on the structure and function of fluvial terraces than rainfed agriculture in this tropical desert.
Clonality and heterogeneity of metachronous colorectal cancer
Authors: Di Jiabo , Yang Hong , Wang Zaozao , Yang Jie , Gao Pin , Jiang Beihai , Su Xiangqian
Published: November 2018

Patients with metachronous colorectal cancer (CRC) have been diagnosed with primary CRC more than once. Given that the genetic and microenvironment is the same in these cases, metachronous CRC is an important model for studying colorectal tumorigenesis. We performed whole exome sequencing of seven freshly frozen tumors from three patients with metachronous CRC and compared their genetic profiles. In patients with metachronous tumors of distinct genetic origins, 3.74% and 0.20% of genes were ubiquitously mutated and candidate cancer genes mutated at different sites. Tumors from the same patients were clonally unrelated, and thus druggable genes differed. In contrast, in a patient with metachronous tumors of a common genetic origin, the ubiquitously mutated genes were 61.02%, with ubiquitously mutated genes and candidate cancer genes all mutated at the same sites, tumors were clonally related, and some druggable genes were the same. Therefore, two different clonal relationships between metachronous tumors exist in CRC, one is monoclonal and the other is polyclonal. Our findings may help to advance understanding of the differences in metachronous CRCs and the genetic mechanisms of which they originate, and provide new avenues for CRC treatment.
Automated data extraction and ensemble methods for predictive modeling of breast cancer outcomes after radiation therapy
Authors: Lindsay William D. , Ahern Christopher A. , Tobias Jacob S. , Berlind Christopher G. , Chinniah Chidambaram , Gabriel Peter E. , Gee James C. , Simone Charles B.
Published: November 2018

Purpose

The purpose of this study was to compare the effectiveness of ensemble methods (e.g., random forests) and single‐model methods (e.g., logistic regression and decision trees) in predictive modeling of post‐RT treatment failure and adverse events (AEs) for breast cancer patients using automatically extracted EMR data.

Methods

Data from 1967 consecutive breast radiotherapy (RT) courses at one institution between 2008 and 2015 were automatically extracted from EMRs and oncology information systems using extraction software. Over 230 variables were extracted spanning the following variable segments: patient demographics, medical/surgical history, tumor characteristics, RT treatment history, and AEs tracked using CTCAEv4.0. Treatment failure was extracted algorithmically by searching posttreatment encounters for evidence of local, nodal, or distant failure. Individual models were trained using decision trees, logistic regression, random forests, and boosted decision trees to predict treatment failures and AEs. Models were fit on 75% of the data and evaluated for probability calibration and area under the ROC curve (AUC) on the remaining test set. The impact of each variable segment was assessed by retraining without the segment and measuring change in AUC (ΔAUC).

Results

All AUC values were statistically significant (P < 0.05). Ensemble methods outperformed single‐model methods across all outcomes. The best ensemble method outperformed decision trees and logistic regression by an average AUC of 0.053 and 0.034, respectively. Model probabilities were well calibrated as evidenced by calibration curves. Excluding the patient medical history variable segment led to the largest AUC reduction in all models (Average ΔAUC = −0.025), followed by RT treatment history (−0.021) and tumor information (−0.015).

Conclusion

In this largest such study in breast cancer performed to date, automatically extracted EMR data provided a basis for reliable outcome predictions across multiple statistical methods. Ensemble methods provided substantial advantages over single‐model methods. Patient medical history contributed the most to prediction quality.
Initial clinical experience with selective bladder denervation for refractory overactive bladder
Authors: Tu Le Mai , De Wachter Stefan , Robert Magali , Dmochowski Roger R. , Miller Larry E. , Everaert Karel
Published: November 2018

Aims

To report the initial clinical experience with selective bladder denervation (SBD) of the trigone in women with refractory overactive bladder (OAB).

Methods

Females with refractory OAB underwent SBD of the bladder sub‐trigone region. Patients were treated using a 10‐s voltage‐controlled radiofrequency (RF) algorithm (RF10) at study onset. The protocol was modified during the study after which point remaining patients received 60‐s temperature‐controlled RF (RF60). Patients were followed for 12 weeks and evaluated for adverse events and changes in OAB symptoms. Exploratory analyses on the influence of RF duration were performed.

Results

Among 63 patients, SBD resulted in statistically significant and clinically important improvements for most outcomes. Comparing RF10 (n = 34) to RF60 (n = 29), treatment benefit was greater with RF60 including mean reduction in urgency urinary incontinence (−2.5 vs −0.9; P < 0.01), urinary incontinence (−2.6 vs −0.8; P < 0.001), and total urgency and frequency score (−13 vs −7; P = 0.02); and improvements in symptom bother (−33 vs −18; P < 0.01) and quality of life (28 vs 16; P = 0.02) on the OAB questionnaire. The proportion of urgency urinary incontinence treatment responders (≥50% reduction in episodes) was 79% with RF60 and 31% with RF10. The frequency of device‐ or procedure‐related adverse events was comparable in RF10 versus RF60 groups (14.7% vs 17.2%).

Conclusions

This study demonstrated the feasibility of SBD in alleviating symptoms of refractory OAB. A 60‐s RF algorithm using deeper ablations of the sub‐trigonal tissues was more effective and comparably safe to a 10‐s RF algorithm using more superficial ablations.
A numerical study of the semi‐classical limit for three‐coupled long wave–short wave interaction equations
Authors: Oruc Goksu , Kesici Emine , Muslu Gulcin M.
Published: November 2018

We study numerically the semi‐classical limit for three‐coupled long wave–short wave interaction equations. The Fourier–Galerkin semi‐discretization is proved to be spectrally convergent in an appropriate energy space. We propose a split‐step Fourier method in the semi‐classical regime with the discussion of the meshing strategy, which is necessary to obtain correct numerical solution. Plane wave solution with weak and strong initial phases, solitary wave solution and Gaussian solution are considered to investigate the semi‐classical limit.
Clinical value of prenatal MRI for diagnosis of isolated ventriculomegaly and prediction of early postnatal developmental outcomes
Authors: Li Zhi , Lv Yidan , He Pingya , Luo Zhiqin , Pan Liming , Du Ying , Fang Rong , Liu Yuqin , Li Lan , Zhu Ling
Published: November 2018

Objective

To investigate the relationship of ventriculomegaly (VM) with postnatal neurological development.

Methods

Fetuses with isolated VM on MRI (n = 160; VM group) were separated into three subgroups according to lateral ventricle width: subgroup A (10.0‐12.0 mm; n = 113), subgroup B (12.1‐15.0 mm; n = 37), and subgroup C (>15.0 mm; n = 10). Fifty normal fetuses formed a control group. Post‐delivery changes in ventricular width and neurological development were assessed with MRI/ultrasonography and the Gesell Development Schedules (GDS), respectively, at 3, 6, 12, and 18 months.

Results

GDS scores of subgroup A and subgroup B did not differ from that of the controls at 3 and 6 months. Subgroup B scores differed significantly from the control scores at 12 and 18 months. Subgroup C scores differed from the control scores at all‐time points (all P < 0.05). In the VM group, GDS scores at 12 and 18 months were significantly different from the scores at 3 months, and the score at 18 months was significantly different from the score at 6 months (P < 0.05 for all).

Conclusion

The milder the VM, the more likely it was to disappear or improve in the postnatal period. However, specific postnatal rehabilitation should be considered when fetal ventricular width is greater than 12.1 mm.
Social comparisons predict health‐related quality of life and depressive symptoms across the first year of breast cancer treatment
Authors: Bouchard Laura C. , Fisher Hannah M. , Carver Charles S. , Kim Youngmee , Antoni Michael H.
Published: November 2018

Background

Social comparisons (SCs) are common among cancer patients, but their prospective associations are not well understood. This study examined concurrent and prospective relationships of SCs with health‐related quality of life (HRQOL) and depressive symptoms during the first year of breast cancer treatment.

Methods

Nonmetastatic breast cancer patients (N = 240) enrolled in a larger intervention trial reported on the frequencies of SCs postsurgery (T1) and 6 months later (T2). HRQOL and depressive symptoms were assessed at T1, T2, and 12 months after T1 (T3). Path analysis via structural equation modeling was used to assess three models relating SCs to HRQOL and depressive symptoms from T1‐T2, T1‐T3, and T2‐T3, controlling for stage of disease, intervention condition, and dispositional optimism.

Results

Upward contrast SCs were associated with poorer concurrent HRQOL at T1 and T2, and with more concurrent depressive symptoms at T2. However, upward contrast SC at T1 predicted better T2 and T3 HRQOL. Upward identification SC at T1 predicted more T2 depressive symptoms, and at T2 was associated with poorer concurrent HRQOL and more concurrent depressive symptoms. Downward identification SCs at T1 were associated with poorer concurrent HRQOL. Downward identification SCs at T2 predicted poorer T3 HRQOL.

Conclusions

Upward SCs were related to compromised concurrent psychosocial well‐being, but prospective effects varied by the interpretation of the comparison (ie, contrast vs identification). Findings have implications for the development and deployment of group‐based psychosocial interventions during the early phases of survivorship, during which opportunities for SC are prevalent.
Considering Structural and Ideological Barriers to Anti‐Poverty Programs in the United States: An Uninhibited, and Unconventional, Analysis
Authors: Skidmore Max J.
Published: November 2018

Historical circumstances and ideological factors combine to obscure the presence and severity of poverty in the United States. Moreover, in recent years, America's two‐party system has become increasingly nonsymmetrical, with a significant segment of the political system devoted to privatization, deferring to demands from religious fundamentalists, and draining power and authority from the government (with the notable exception of police and military powers). The result is continual pressure to shrink government, minimize taxes, reduce or eliminate regulation, enhance the power of private commercial interests, and rely upon citizens to care for themselves without assistance. This has led to a demonization of the “welfare state,” an enormous increase in income inequality, a concentration of wealth upward, a significant effort aimed at largely withdrawing government from the provision of health care, and the retreat of a major political party from acceptance of any obligation to promote the general welfare.
Tunable Auxetic Mechanical Metamaterials with “Arch‐Shaped” Units
Authors: Qin Yuan , Li Xin , Chen Yanfeng , Lu Minghui
Published: November 2018

Rationally designed artificial materials providing unusual mechanical properties are attracting continuous interests due to the wide technological applications such as metamaterials for flexible electron and biomedical devices. A variety of natural biological tissues exhibit “J‐shaped” stress–strain behavior, so a challenge and interesting subject is to offer protection to electronics from a certain strain that may induce potential device failures. In the current letter, a novel porous auxetic metamaterial with “J‐shaped” stress–strain curve is designed and a method for tuning Poisson's ratio and stress–strain curve is illustrated. Experimental tests, numerical simulations, and analytical modeling are implemented to quantify the evolution of the Poisson's ratio and stress–strain curve, revealing the underlying mechanisms responsible for the unusual behavior. The structure simultaneously shows elastic wave bandgaps at certain frequency, which can finally extend to three‐dimension. The designed structural metamaterial has potential for applications in tissue engineering, bio‐medical devices, and comfortable integration of stretchable electronics with biological tissues, it also provides a new routine to design architected metamaterial systems exhibiting desired properties.
The Intermetalloid Clusters [Ni2Bi12]4+and [Rh2Bi12]4+– Ionothermal Synthesis, Crystal Structures, and Chemical Bonding
Authors: Groh Matthias F. , Müller Ulrike , Isaeva Anna , Ruck Michael
Published: November 2018

The intermetalloid clusters [M2Bi12]4+(M= Ni, Rh) were synthesized as halogenido‐aluminates in Lewis‐acidic ionic liquids. The reaction of bismuth and NiCl2in [BMIm]Cl·5AlCl3(BMIm = 1‐butyl‐3‐methylimidazolium) at 180 °C yielded black, triclinic (P1) crystals of [Ni2Bi12][AlCl4]3[Al2Cl7]. Black, monoclinic (P21/m) crystals of [Rh2Bi12][AlBr4]4precipitated after dissolving the cluster salt Bi12–xRhX13–x(X= Cl, Br; 0 <x< 1) in [BMIm]Br·4.1AlBr3at 140 °C. In the cationic cluster [Ni2Bi12]4+, the nickel atoms center two base‐sharing square antiprisms of bismuth atoms (symmetry close toD4h). The valence‐electron‐poorer rhodium‐containing cluster is a distorted variant of this motif: the terminating Bi4rings are folded to bicyclic “butterflies“ and the central square splits into two dumbbells (symmetry close toD2h). DFT‐based calculations and real‐space bonding analyses place the intermetalloid units between a triple‐decker complex and a conjoined Wade‐Mingos cluster.
The Hydrogenation of the Zintl Phase NdGa Studied by in situ Neutron Diffraction
Authors: Auer Henry , Nedumkandathil Reji , Häussermann Ulrich , Kohlmann Holger
Published: November 2018

The hydrogenation of the Zintl phase NdGa was studied by in situ neutron powder diffraction. We find a compositional range of 0.1 < x < 0.8 in NdGaH1+x. Hydrogen atoms are located in two different positions, in HNd4 tetrahedra, and close to the polyanionic chains. For the latter, the Ga–H distance in NdGaH1.66 is quite long (ca. 200 pm) with a trigonal bipyramidal Nd3Ga2 surrounding of hydrogen atoms. Hydrogen poor NdGaH<1 phases as known for similar systems were not observed. The changing hydrogen content shows no measureable effect on the unit cell volume, but on lattice parameter ratios. Superstructures occur for 0.53 < x < 0.66 and 0.73 < x < 0.8, leading to a doubling or tripling of the lattice parameter a. They are probably caused by partial hydrogen ordering. The threefold superstructure contains a 1∞[(Ga–H–Ga–H–Ga)6–] moiety with hydrogen bridging two gallium chains.