bluuebunny/crossref_metadata_2025_split huggingface dataset:
MaxMIF: A New Method for Identifying Cancer Driver Genes through Effective Data Integration
Authors: Hou Yingnan , Gao Bo , Li Guojun , Su Zhengchang 
Published: July 2018

AbstractIdentification of a few cancer driver mutation genes from a much larger number of passenger mutation genes in cancer samples remains a highly challenging task. Here, a novel method for distinguishing the driver genes from the passenger genes by effective integration of somatic mutation data and molecular interaction data using a maximal mutational impact function (MaxMIF) is presented. When evaluated on six somatic mutation datasets of Pan‐Cancer and 19 datasets of different cancer types from TCGA, MaxMIF almost always significantly outperforms all the existing state‐of‐the‐art methods in terms of predictive accuracy, sensitivity, and specificity. It recovers about 30% more known cancer genes in 500 top‐ranked candidate genes than the best among the other tools evaluated. MaxMIF is also highly robust to data perturbation. Intriguingly, MaxMIF is able to identify potential cancer driver genes, with strong experimental data support. Therefore, MaxMIF can be very useful for identifying or prioritizing cancer driver genes in the increasing number of available cancer genomic data.
The Introduction of Fluorine and Sulfur Atoms into Benzotriazole‐Based p‐Type Polymers to Match with a Benzotriazole‐Containing n‐Type Small Molecule: “The Same‐Acceptor‐Strategy” to Realize High Open‐Circuit Voltage
Authors: Tang Ailing , Xiao Bo , Chen Fan , Zhang Jianqi , Wei Zhixiang , Zhou Erjun 
Published: July 2018

Abstract“The Same‐Acceptor‐Strategy” (SAS) adopts benzotriazole (BTA)‐based p‐type polymers paired with a new BTA based non‐fullerene acceptor BTA13 to minimize the trade‐off between the open‐circuit voltage (VOC) and short circuit current (JSC). The fluorination and sulfuration are introduced to lower the highest occupied molecular orbitals (HOMO) of the polymers. The fluorinated polymer of J52‐F shows the higher power conversion efficiency (PCE) of 8.36% than the analog polymer of J52, benefited from a good balance between an improved VOC of 1.18 V and a JSC of 11.55 mA cm−2. Further adding alkylthio groups on J52‐F, the resulted polymer, J52‐FS, exhibits the highest VOC of 1.24 V with a decreased energy loss of 0.48 eV, compared with 0.67 eV for J52 and 0.54 eV for J52‐F. However, J52‐FS shows an inferior PCE (3.84%) with a lower JSC of 6.74 mA cm−2, because the small ΔEHOMO between J52‐FS and BTA13 (0.02 eV) gives rise to the inefficient hole transfer and high charge recombination, as well as low carrier mobilities. The results of this study clearly demonstrate that the introduction of different atoms in p‐type polymers is effective to improve the SAS and realize the high (VOC) and PCE.
Rituximab maintenance therapy for mantle cell lymphoma: A systematic review and meta‐analysis
Authors: Hilal Talal , Wang Zhen , Almader‐Douglas Diana , Rosenthal Allison , Reeder Craig B. , Jain Tania 
Published: July 2018

AbstractMantle cell lymphoma is characterized by relapse and progressive disease, despite initial response to chemoimmunotherapy. We conducted a systematic review and meta‐analysis to determine the efficacy of rituximab maintenance (RM) therapy in patients with mantle cell lymphoma. We searched PubMed, Embase and Cochrane Central Register of Controlled Trials from database inception through November 1, 2017. Only full‐text articles were included. Prespecified data elements were extracted from each trial. Outcomes of interest included progression‐free survival (PFS) and overall survival (OS). The overall effect was pooled using the Der Simonian‐Laird random effects model. Three randomized controlled trials and four observational studies met our inclusion criteria and were identified in the analyses. Six studies compared RM therapy to observation, and one compared RM therapy to interferon alfa. Meta‐analysis evaluating outcomes of patients treated after ASCT revealed that RM improved for both PFS (HR = 0.33, 95% CI = 0.23‐0.49) and OS (HR of death = 0.35, 95% CI = 0.17‐0.69). A second meta‐analysis of studies evaluating outcomes of patients who are ASCT‐ineligible treated with anthracycline‐based induction therapy revealed that RM improved PFS (HR = 0.38, 95% CI = 0.25‐0.58). There is a paucity of data on the role of RM in ASCT‐ineligible patients and those with relapsed disease. Overall, RM therapy appears to improve PFS and OS in previously untreated patients with mantle cell lymphoma who undergo induction chemoimmunotherapy followed by ASCT.
ROS‐Responsive N‐Alkylaminoferrocenes for Cancer‐Cell‐Specific Targeting of Mitochondria
Authors: Reshetnikov Viktor , Daum Steffen , Janko Christina , Karawacka Weronika , Tietze Rainer , Alexiou Christoph , Paryzhak Solomiya , Dumych Tetiana , Bilyy Rostyslav , Tripal Philipp , Schmid Benjamin , Palmisano Ralf , Mokhir Andriy 
Published: July 2018

AbstractMitochondrial membrane potential is more negative in cancer cells than in normal cells, allowing cancer targeting by delocalized lipophilic cations (DLCs). However, as the difference is rather small, these drugs affect also normal cells. Now a concept of pro‐DLCs is proposed based on an N‐alkylaminoferrocene structure. These prodrugs are activated by the reaction with reactive oxygen species (ROS) forming ferrocenium‐based DLCs. Since ROS are overproduced in cancer, the high‐efficiency cancer‐cell‐specific targeting of mitochondria could be achieved as demonstrated by fluorescence microscopy in combination with two fluorogenic pro‐DLCs in vitro and in vivo. We prepared a conjugate of another pro‐DLC with a clinically approved drug carboplatin and confirmed that its accumulation in mitochondria was higher than that of the free drug. This was reflected in the substantially higher anticancer effect of the conjugate.
Photoredoxkatalyse als Strategie zur synthetischen Nutzung von CO2: Direkter Zugang zu Carbonsäuren aus einem erneuerbaren Rohstoff
Authors: Yeung Charles S. 
Published: July 2018

AbstractKohlendioxid stellt aus Sicht globaler Nachhaltigkeitsbemühungen ein attraktives Rohmaterial dar. Sein vielfältiger Einsatz wird allerdings durch seine geringe Reaktivität erschwert. Neue Katalysatoren und Technologien, die den Aufbau von C‐C‐Bindungen ermöglichen, sind daher von hohem Wert. Dieser Kurzaufsatz beschreibt aktuelle Fortschritte auf dem Gebiet der Photoredoxkatalyse als Strategie für Carboxylierungen.
Umpolung Reactivity of Aldehydes toward Carbon Dioxide
Authors: Juhl Martin , Lee Ji‐Woong 
Published: July 2018

AbstractCarbon dioxide is an intrinsically stable molecule. Therefore, its activation requires extra energy input in the form of reactive reagents and/or activated catalysts and, often, harsh reaction conditions. Reported here is a direct carboxylation reaction of aromatic aldehydes with carbon dioxide to afford α‐keto acids as added‐value products. In situ generation of a reactive cyanohydrin was the key to the successful carboxylation reaction under operationally mild reaction conditions (25–40 °C, 1 atm CO2). The resulting α‐keto acids served as a platform for α‐amino acid synthesis by reductive amination reactions, illustrating the chemical synthesis of essential bioactive molecules from carbon dioxide.
Photocontrolled Multidirectional Differentiation of Mesenchymal Stem Cells on an Upconversion Substrate
Authors: Yan Zhengqing , Qin Hongshuang , Ren Jinsong , Qu Xiaogang 
Published: July 2018

AbstractThe effective guidance of mesenchymal stem cell (MSC) differentiation on a substrate by near‐infrared (NIR) light is particularly attractive for tissue engineering and regenerative medicine. However, most of current substrates cannot control multidirectional differentiation of MSCs like natural tissues. Herein, a photocontrolled upconversion‐based substrate was designed and constructed for guiding multidirectional differentiation of MSCs. The substrate enables MSCs to maintain their stem‐cell characteristics due to the anti‐adhesive effect of 4‐(hydroxymethyl)‐3‐nitrobenzoic acid modified poly(ethylene glycol) (P1) attached on the upconversion substrate. Upon NIR irradiation, the P1 is released from the substrate by photocleavage. The detachment of P1 can change cell–matrix interactions dynamically. Moreover, MSCs cultured on the upconversion substrate can be specifically induced to differentiate to adipocytes or osteoblasts by adjusting the NIR laser. Our work provides a new way of using NIR‐based upconversion substrate to modulate the multidirectional differentiation of MSCs.
Experimental Evidence for a Triboluminescent Antiperovskite Ferroelectric: Tris(trimethylammonium) catena‐Tri‐μ‐chloro‐manganate(II) Tetrachloromanganate(II)
Authors: Li Peng‐Fei , Tang Yuan‐Yuan , Liao Wei‐Qiang , Shi Ping‐Ping , Hua Xiu‐Ni , Zhang Yi , Wei Zhenhong , Cai Hu , Xiong Ren‐Gen 
Published: July 2018

AbstractThe perovskite structure is rich in ferroelectricity. In contrast, ferroelectric antiperovskites have been scarcely confirmed experimentally since the discovery of M3AB‐type antiperovskites in the 1930s. Ferroelectricity is now revealed in an organic–inorganic hybrid X3AB antiperovskite structure, which exhibits a clear ferroelectric phase transition 6/mmmF6mm with a high Curie point of 480 K. The physical properties across the phase transition are obviously changed along with the symmetry requirements, providing solid experimental evidence for the ferroelectric phase transition. More interestingly, the discovered antiperovskite shows intense photoluminescence and triboluminescence properties. The confirmation of the triboluminescent ferroelectric antiperovskite will open new avenues to explore excellent optoelectronic properties in the antiperovskite family.
Photoredox Catalysis as a Strategy for CO2 Incorporation: Direct Access to Carboxylic Acids from a Renewable Feedstock
Authors: Yeung Charles S. 
Published: July 2018

AbstractCarbon dioxide is an attractive reagent for organic synthesis from the standpoint of global sustainability. Its widespread use, however, is hampered by the fact that it is poorly reactive. New catalysts and technologies that enable C−C bond constructions are thus of high intrinsic value. This Minireview describes recent advances in the area of photoredox catalysis as an enabling strategy for promoting carboxylations.
Manganese‐Catalyzed Redox‐Neutral C−H Olefination of Ketones with Unactivated Alkenes
Authors: Hu Yuanyuan , Zhou Bingwei , Chen Hui , Wang Congyang 
Published: July 2018

AbstractSince 1987, stoichiometric cyclomanganation of ketones and subsequent reactions with olefins in the presence of either palladium salts or trimethylamine N‐oxide (Me3N+O−) have been reported, but the catalytic versions remain untouched so far. Herein, the first manganese‐catalyzed redox‐neutral C−H olefination of ketones with unactivated alkenes is described, and shows a distinct reactivity with its parent stoichimetric reactions. Remarkably, mechanistic experiments and DFT calculations uncovers a unique concerted bis‐metalation deprotonation (CBMD) mechanism of the Mn‐Zn‐enabled C−H bond activation.
A novel pathway for in situ synthesis of modified gelatin microspheres by silane coupling agents as a bioactive platform
Authors: Ghorbani Farnaz , Zamanian Ali , Behnamghader Aliasghar , Daliri Joupari Morteza 
Published: July 2018

ABSTRACTThis study investigated the fabrication and modification of gelatin microspheres via single emulsion method and silane coupling agents, respectively. Herein, the influence of oil phase and washing procedure on morphology and uniformity of microspheres was evaluated. The results of field emission scanning electron microscopy indicated a positive effect of olive oil on the production of uniform and approximately mono‐size spheres while monodispersity increased after samples were washed under ultrasonication. Investigation of crosslinking degree demonstrated that GPTMS could not show efficiency as high as glutaraldehyde, but the lack of toxicity and inducing bioactive behavior to the microspheres has made them appropriate for bone applications. Moreover, the stability of spheres after 14 days in phosphate buffered saline proved the ability of (3‐glycidyloxypropyl)trimethoxysilane to crosslink gelatin. The presence of silane coupling agents in prepared spheres caused the biomimetic formation of hydroxyapatite after a 14‐day immersion in simulated body fluid as observed by field emission scanning electron microscopy‐energy‐dispersive X‐ray spectroscopy, changes in pH, Fourier transform infrared spectroscopy, X‐ray diffraction, and atomic force microscopy. Adhesion, spreading, and proliferation of L929 cells on the hybrid microspheres corroborated the potential of gelatin spheres for biomedical application. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46739.
Functionalization of poly(3‐hydroxybutyrate) with different thiol compounds inhibits MDM2–p53 interactions in MCF7 cells
Authors: Abdelwahab M. A. , El‐Barbary A. A. , El‐Said K. S. , Betiha M. , Elkholy H. M. , Chiellini E. , El‐Magd M. A. 
Published: July 2018

ABSTRACTHigh‐molecular‐weight poly(3‐hydroxybutyrate) (PHB) has a low reactivity toward its terminal functional groups. Thus, the chemical reactivity of PHB was enhanced by the chemical degradation that occurred via β‐elimination through the functionalization of PHB with ethylene glycol to give a low‐molecular‐weight PHB–diol. The reaction of PHB–diol with acryloyl chloride gave PHB–diacrylate, which was grafted by thiol compounds, such as ethane dithiol, 2‐mercaptoethanol, ethane thiol, dithiothreitol, butane thiol, and thioglycolic acid, via a Michael‐type addition reaction. The chemical and thermal properties of the functionalized PHB–thiol products were characterized with Fourier transform infrared spectroscopy, 1H‐NMR, gel permeation chromatography, differential scanning calorimetry, and thermogravimetric analysis techniques. X‐ray diffraction showed that the PHB–thiol polymers had slight differences in crystallinity compared with neat PHB. The biological activities of the neat polymer and new PHB–thiol polymers, including the antibacterial and anticancer activities, were tested, and some of these products showed antibacterial and anticancer activities. These anticancer activities were attributed to the ability of these PHB–thiol polymers to induce apoptosis (as revealed by the higher expression of Bax and caspase 9 and the lower expression of Bcl2) and cell‐cycle arrest in the G0/G1 phase, which is associated with the higher expression of p53 and p21 and the lower expression of the p53 inhibitor, MDM2. Thus, the anticancer effect of these PHB–thiol polymers may have been due to their ability to inhibit MDM2–p53 interactions. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 46924.
Schiff bases and their amines: Synthesis and discovery of carbonic anhydrase and acetylcholinesterase enzymes inhibitors
Authors: Yiğit Beyhan , Yiğit Murat , Taslimi Parham , Gök Yetkin , Gülçin İlhami 
Published: July 2018

AbstractThree series of symmetrical Schiff bases were synthesized from 1,2‐diaminoethane, 1,3‐diaminopropane and 1,4‐diaminobutane and substituted benzaldehydes, and reduced by sodium borohydride to the corresponding benzylic diamines 4–6. All of the compounds obtained were characterized using elemental analysis, FT‐IR, 1H NMR, and 13C NMR spectroscopy. The enzyme inhibitory properties of these compounds were tested and the influence of the alkane chain length and the substituents on the phenyl group on the enzyme inhibition activity were examined. The novel Schiff bases and their amine derivatives (1a–d, 2a–d, 3b–d, 4a–c, 5a–c, 6a, 6c, 6d) were effective inhibitors of the cytosolic carbonic anhydrase I and II isoforms (hCA I and II), and acetylcholinesterase (AChE) with Ki values in the range of 159.43 ± 30.03 to 563.73 ± 115.30 nM for hCA I, 104.88 ± 18.44 to 524.32 ± 95.03 nM for hCA II, and 3.95 ± 0.74 to 30.83 ± 6.81 nM for AChE.
Tissue‐Resident Memory CD8+ T Cells Acting as Mediators of Salivary Gland Damage in a Murine Model of Sjögren's Syndrome
Authors: Gao Cai‐Yue , Yao Yuan , Li Liang , Yang Shu‐Han , Chu Hui , Tsuneyama Koichi , Li Xiao‐Mei , Gershwin M. Eric , Lian Zhe‐Xiong 
Published: July 2018

ObjectiveAlthough a role for CD4+ T cells in the pathogenesis of Sjögren's syndrome (SS) has been documented, the pathogenic significance of CD8+ T cells is unclear. The aim of this study was to investigate the role of CD8+ T cells in the development of SS.MethodsFlow cytometry and immunofluorescence analyses were utilized to detect T cell infiltration within the labial salivary glands of patients with primary SS. In parallel, p40−/−CD25−/− mice were used as a murine model of SS. In addition, mice with genetic knockout of CD4, CD8a, or interferon‐γ (IFNγ) were crossed with p40−/−CD25−/− mice to study the pathogenic significance of specific lineage subpopulations, including functional salivary gland tests as well as histopathologic and serologic data. A CD8+ T cell–specific depletion antibody was used in this murine SS model to evaluate its potential as a therapeutic strategy.ResultsCD8+ T cells with a tissue‐resident memory phenotype outnumbered CD4+ T cells in the labial salivary glands of patients with SS, and were primarily colocalized with salivary duct epithelial cells and acinar cells. Furthermore, infiltrating CD8+ T cells with a CD69+CD103+/− tissue‐resident phenotype and with a significant elevation of IFNγ production were dominant in the submandibular glands of mice in this murine SS model. CD8a knockout abrogated the development of SS in these mice. Knockout of IFNγ decreased CD8+ T cell infiltration and gland destruction. More importantly, depletion of CD8+ T cells fully protected mice against the pathologic manifestations of SS, even after the onset of disease.ConclusionThese data reveal the pathogenic significance of CD8+ T cells in the development and progression of SS in the salivary glands. Treatment directed against CD8+ T cells may be a rational therapy for the management of SS in human subjects.
Tracking Control for Stochastic Multi‐Agent Systems Based on Hybrid Event‐Triggered Mechanism
Authors: Xing Mali , Deng Feiqi 
Published: July 2018

AbstractThis paper deals with the leader‐following consensus for nonlinear stochastic multi‐agent systems. To save communication resources, a new centralized/distributed hybrid event‐triggered mechanism (HETM) is proposed for nonlinear multi‐agent systems. HETMs can be regarded as a synthesis of continuous event‐triggered mechanism and time‐driven mechanism, which can effectively avoid Zeno behavior. To model the multi‐agent systems under centralized HETM, the switched system method is applied. By utilizing the property of communication topology, low‐dimensional consensus conditions are obtained. For the distributed hybrid event‐triggered mechanism, due to the asynchronous event‐triggered instants, the time‐varying system method is applied. Meanwhile, the effect of network‐induced time‐delay on the consensus is also considered. To further reduce the computational resources by constantly testing whether the broadcast condition has been violated, self‐triggered implementations of the proposed event‐triggered communication protocols are also derived. A numerical example is given to show the effectiveness of the proposed method.
A tailor‐made, self‐sufficient and recyclable monooxygenase catalyst based on coimmobilized cytochrome P450 BM3 and glucose dehydrogenase
Authors: Valikhani Donya , Bolivar Juan M. , Dennig Alexander , Nidetzky Bernd 
Published: July 2018

AbstractCytochrome P450 monooxygenases (P450s) promote hydroxylations in a broad variety of substrates. Their prowess in C–H bond functionalization renders P450s promising catalysts for organic synthesis. However, operating P450 reactions involve complex management of the main substrates, O2 and nicotinamide adenine dinucleotide phosphate (NAD(P)H) reducing equivalents against an overall background of low operational stability. Whole‐cell biocatalysis, although often used, offers no general solution to these problems. Herein, we present the design of a tailor‐made, self‐sufficient, operationally stabilized and recyclable P450 catalyst on porous solid support. Using enzymes as fusion proteins with the polycationic binding module Zbasic2, the P450s BM3 (from Bacillus megaterium) was coimmobilized with glucose dehydrogenase (type IV; from B. megaterium) on anionic sulfopropyl‐activated carrier (ReliSorb SP). Immobilization via Zbasic2 enabled each enzyme to be loaded in controllable amount, thus maximizing the relative portion of the rate limiting P450 BM3 (up to 19.5 U/gcarrier) in total enzyme immobilized. Using lauric acid as a representative P450 substrate that is poorly accessible to whole‐cell catalysts, we demonstrate complete hydroxylation at low catalyst loading (≤0.1 mol%) and efficient electron coupling (74%), inside of the catalyst particle, to the regeneration of NADPH from glucose (27 cycles) was achieved. The immobilized P450 BM3 showed a total turnover number of ∼18,000, thus allowing active catalyst to be recycled up to 20 times. This study therefore supports the idea of practical heterogeneous catalysis by P450s systems immobilized on solid support.
Electrochemical and Spectroelectrochemical Behavior of a Tetracyanotriphenodioxazine in Solution and Thin‐Films
Authors: Meunier‐Prest Rita , Gruntz Guillaume , Castet Frédéric , Nicolas Yohann , Wannebroucq Amélie , Bouvet Marcel , Toupance Thierry 
Published: July 2018

AbstractWe report the electrochemical behavior of a tetracyano triphenodioxazine bearing two triisopropylsilylethynyl moieties (TiPS‐TPDO‐tetraCN) during its reduction studied either in solution or after vacuum evaporation deposition on indium tin oxide (ITO) support. While in dichloromethane, it typically proceeds in two successive monoelectronic reactions, in acetonitrile, the mechanism appears more complex. Fine analysis of the spectroelectrochemical results combined with simulation of the voltammograms with various amount of water suggest the involvement of water and of a restructured dianion in the electrochemical process. In the solid‐state, the formation of the diprotonated compound was demonstrated and the equilibrium diagram of the different species formed as a function of the pH was drawn. The deprotonated form is unstable and decomposes immediately in solution. Its stabilization in solid‐state is attributed to π–π and charge transfer interactions.
Anion‐Binding Macrocycles Operate Beyond the Electrostatic Regime: Interaction Distances Matter
Authors: Sengupta Arkajyoti , Liu Yun , Flood Amar H. , Raghavachari Krishnan 
Published: July 2018

AbstractAnion recognition impacts many areas of chemistry and often relies on receptors with multiple hydrogen‐bond donors. Previous studies of these donors in small molecules have long promoted the idea that electrostatic interactions alone correlate with association strength, yet this correlation has not been critically evaluated in the framework of larger, macrocyclic receptors. Here, we provide that assessment by evaluating how much electrostatics contributes to the gas‐phase binding energy of macrocyclic receptors with various anions. Whereas small‐molecule complexes behave as expected, we find that electrostatic interactions fail to accurately describe total binding energies of many common macrocyclic receptors: calix[4]pyrroles, dipyrrolyldiketones, indolocarbazoles, amido‐pyrroles, triazolophanes, and cyanostars. This deviation arises from the fact that most macrocycles have multiple points of contact with the anion. Whereas the hydrogen‐bond donors collectively stabilize the anion, the interaction distances are typically larger than equilibrium values seen with small molecules. This leads to increases in the relative contributions of the attractive components such as induction (e.g., induced dipoles) and dispersion, which are found to be as high as 32 % for CH‐donor based tricarbazole triazolophane complex with large polarizable ClO4−. This study augments previous observations of the importance of dispersion and induction towards anion binding of macrocyclic receptors in solution.