bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimization of Interferon–Alpha and Imatinib Combination Therapy for Chronic Myeloid Leukemia: A Modeling Approach
Authors: Bunimovich‐Mendrazitsky Svetlana , Kronik Natalie , Vainstein Vladimir 
Published: October 2018

AbstractChronic myeloid leukemia (CML) in its chronic phase is treated with imatinib, with an attempt at discontinuation after at least three years of therapy in patients with deep molecular responses. Following the attempted discontinuation, approximately half of the patients regress and need to return to the imatinib treatment. Interferon‐alpha monotherapy results in a cure in only a small percentage of patients. The combination of both drugs is simulated to optimize the treatment with respect to duration and schedule. This is achieved through a mathematical model in which three cell types are described: leukemic stem cells, mature leukemic cells, and CML‐cytotoxic‐lymphocyte (CML‐CTL) cells. The model is simulated in silico, under different combination treatment regimens of imatinib and interferon‐alpha. It is observed that a low level of CML‐CTL cells causes failure of the combination treatment; an intermediate level of CML‐CTL produces mixed results for the success of the combination treatment; a high level of CML‐CTL cells promotes the success of the combination treatment. According to the model, treatment can lead to low‐level persistence of CML stem cells after treatment discontinuation, even in the absence of acquired drug resistance. The model defines conditions under which imatinib‐interferon‐alpha treatment leads to CML eradication.
CoSe2 Nanoparticles Encapsulated by N‐Doped Carbon Framework Intertwined with Carbon Nanotubes: High‐Performance Dual‐Role Anode Materials for Both Li‐ and Na‐Ion Batteries
Authors: Yang Jun , Gao Hongcheng , Men Shuang , Shi Zhenqing , Lin Zhang , Kang Xiongwu , Chen Shaowei 
Published: October 2018

AbstractIt is of fundamental and technological significance to develop dual‐role anode materials for both lithium‐ion batteries (LIBs) and sodium‐ion batteries (SIBs) with high performance. Here, a composite material based on CoSe2 nanoparticles encapsulated in N‐doped carbon framework intertwined with carbon nanotubes (CoSe2@N‐CF/CNTs) is prepared successfully from cobalt‐based zeolitic imidazolate framework (ZIF‐67). As anode materials for LIBs, CoSe2@N‐CF/CNTs composites deliver a reversible capacity of 428 mAh g−1 even after 500 cycles at a current density of 1 A g−1 with almost 100% Coulombic efficiency. The charge and discharge mechanisms of CoSe2 are characterized using ex situ X‐ray diffraction and Raman analysis, from which the lithiation products of CoSe2 are found to be LixCoSe2 and Li2Se, which are further converted to CoSe2 upon delithiation. The CoSe2@N‐CF/CNTs composites also demonstrate excellent electrochemical performance as anode materials for SIBs with a carbonate‐based electrolyte, with specific capacities of 606 and 501 mAh g−1 at 0.1 and 1 A g−1 in the 100th cycle. The electrochemical performance of the anode materials is further studied by pseudocapacitance and galvanostatic intermittent titration technique (GITT) measurements. This work may be exploited for the rational design and development of dual‐role anode materials for both Li‐ and Na‐ion batteries.
Topochemical Synthesis of 2D Carbon Hybrids through Self‐Boosting Catalytic Carbonization of a Metal–Polymer Framework
Authors: Zhang Qiao , Zhou Yanping , Xu Feng , Lin Huijuan , Yan Yan , Rui Kun , Zhang Chenjun , Wang Qingqing , Ma Zhongyuan , Zhang Yao , Huang Kama , Zhu Jixin , Huang Wei 
Published: October 2018

AbstractTwo‐dimensional (2D) carbon hybrids have promise in various areas such as energy storage and catalysis. Simple methods for controllable fabrication of 2D graphitic carbon hybrids in a scalable manner remains challenging. Now, a microwave‐assisted strategy for mass production of 2D carbon hybrids based on self‐boosting catalytic carbonization of a metal–agarose framework is demonstrated. Hybrids including hollow Fe3C nanoparticles, Ni/Co nanoparticles, and hollow FeOx nanoparticles uniformly embedded in 2D graphitic carbon nanosheets (GCNs) are obtained, demonstrating the generality of the approach. Metal–polymer coordination and microwave‐enabled fast catalytic decomposition of precursors play vital roles in facilitating the formation of the nanosheet structure. The resulting FeOx‐GCNs hybrid exhibits superior lithium‐storage performance (1118 mAh g−1 at 500 mA g−1 and 818 mAh g−1 at 2000 mA g−1 after 1200 cycles).
A Metal–Organic Framework with Tetrahedral Aluminate Sites as a Single‐Ion Li+ Solid Electrolyte
Authors: Fischer Sabrina , Roeser Jérôme , Lin Terri C. , DeBlock Ryan H. , Lau Jonathan , Dunn Bruce S. , Hoffmann Frank , Fröba Michael , Thomas Arne , Tolbert Sarah H. 
Published: October 2018

AbstractWe demonstrate the synthesis of the first anionic aluminum metal–organic framework (MOFs) constructed from tetrahedral AlO4 sites. Al‐Td‐MOF‐1 was obtained in a simple two‐step synthesis by condensation of 1,4‐dihydroxybenzene and lithium aluminum hydride into an amorphous aluminate framework before applying a solvothermal treatment under basic conditions to obtain the crystalline Al‐Td‐MOF‐1 with a chemical composition of Li[Al(C6H4O2)2]. The overall Al‐Td‐MOF‐1 structure consists of one‐dimensional chains of alternating edge‐sharing AlO4 and LiO4 tetrahedral sites describing unidirectional pore channels with a square window aperture of ≈5×5 Å2, best described topologically as a uninodal 6‐coordinated snp rod net. Al‐Td‐MOF‐1 features the highest Li+ loading reported to date for a MOF (2.50 wt %) and proved to be an effective single‐ion solid electrolyte. An ionic conductivity of 5.7×10−5 S cm−1 was measured for Al‐Td‐MOF‐1 and the beneficial contribution of crystallinity was evidenced by an 8‐fold increase in conductivity between the disordered and crystalline material.
Switching Chemoselectivity: Using Mechanochemistry to Alter Reaction Kinetics
Authors: Howard Joseph L. , Brand Michael C. , Browne Duncan L. 
Published: October 2018

AbstractA reaction manifold has been discovered in which the chemoselectivity can be altered by switching between neat milling and liquid assisted grinding (LAG) with polar additives. After investigation of the reaction mechanism, it has been established that this switching in reaction pathway is due to the neat mechanochemical conditions exhibiting different kinetics for a key step in the transformation. This proof of concept study demonstrates that mechanochemistry can be used to trap the kinetic product of a reaction. It is envisaged that, if this concept can be successfully applied to other transformations, novel synthetic processes could be discovered and known reaction pathways perturbed or diverted.
Nano‐synthesis, characterization, modeling and molecular docking analysis of Mn (II), Co (II), Cr (III) and Cu (II) complexes with azo pyrazolone ligand as new favorable antimicrobial and antitumor agents
Authors: Gaber Mohamed , Khedr Abdalla M. , Mansour Mohammed A. , Elsharkawy Mohsen 
Published: October 2018

Novel nanosized Mn (II), Co (II), Cr (III) and Cu (II) complexes were synthesized with 2‐((5‐oxo‐1,3‐diphenyl‐4,5‐dihydro‐1H‐pyrazol‐4‐yl)diazenyl) benzoic acid, HL applying precipitation method. Their structures were characterized based on the elemental and thermal analyses, spectra (FT‐IR, UV–Vis, MS, ESR and XRD), conductivity and magnetic moment measurements. IR spectra offered that HL behaves as monobasic tri‐dentate ligand towards Mn (II), Cr (III) and Cu (II) and monobasic bi‐dentate towards Co (II). The XRD results unambiguously confirmed the crystalline nature and nano‐sized particles of Cu (II) complex while HL and other complexes exhibited amorphous phases. The magnetic moment data, UV–Vis and ESR spectra supported the formation of octahedral geometries for Mn (II), and Cr (III) complexes, whereas Co (II), and Cu (II) complexes showed tetrahedral arrangement. The activation parameters for the thermal degradation stages were theoretically calculated using TGA curves. The obtained data showed the inspected complexes as favorable antimicrobial drug candidates. The studied compounds were screened out for their antitumor and antimicrobial activities. The inspected compounds exhibited a reasonable antibacterial activity and weak antitumor efficacy. The in vitro results were confirmed using the in silico molecular docking analysis (docking server) applying x‐ray crystallographic structures of the proteins (4 m01, 3 t88, 1zap & 4ynt) from PDB (Protein Data Bank). HL and probably its complexes displayed adequate binding with the receptors of 4 m01, 3 t88, 1zap, and 4ynt microorganisms. The obtained data show the inspected complexes as favorable antimicrobial drug candidates.
Syntheses, structural characterizations, and electrochemical and fluorescent properties of homo‐ and hetero‐polynuclear transition metal(II) complexes
Authors: Ren Zong‐Li , Li Xiao‐Yan , Hao Jing , Zhang Yang , Dong Wen‐Kui 
Published: October 2018

Rare homo‐ and hetero‐polynuclear transition metal(II) complexes, [{Cu(L1)}2] (1) and [Cu(L2)Ni2(CH3OH)2] (2), were prepared and structurally characterized. Complex 1 possesses an uncommon dinuclear structure bonded by two alkoxy bridges, and all the Cu(II) atoms are tetra‐coordinated with slightly distorted square planar geometries. The Cu1─Cu2 bond distance is 2.994(3) Å. Complex 2 exhibits an unexpected trinuclear heterobimetallic structure from two chelating (L2)3− units in crossover mode, which is the first heterobimetallic 3d–3d salamo‐type transition metal complex. The two Ni(II) atoms are penta‐coordinated with slightly distorted square pyramidal geometries (τ = 0.269 (Ni1) and 0.498 (Ni2)), and the Cu(II) atom is tetra‐coordinated with a slightly distorted square planar geometry. Moreover, fluorescence behaviors of 1 and 2 were investigated, and electrochemical study reveals that the electrolytic redox reactions of 1 are irreversible processes.
Facile synthesis of copper hexacyanoferrate/graphene nanocomposite for electrochemical energy storage
Authors: Targholi Ehsan , Rahmanifar Mohammad Safi , Mousavi‐Khoshdel S. Morteza 
Published: October 2018

A two‐component nanocomposite of copper hexacyanoferrate/reduced graphene oxide (CuHCF/rGO) was successfully synthesized using a solution‐based co‐precipitation process in the presence of graphene oxide solution. Electrochemical measurements indicated a specific capacitance of 548 F g−1 at a current density of 0.5 A g−1 in the potential range of −0.2 to 1 V, versus Ag/AgCl standard electrode, obtained in an electrolyte of 0.5 M K2SO4 (as a neutral electrolyte) during galvanostatic charge/discharge cycles. This value is higher than the specific capacitance of the raw materials rGO (174 F g−1 at a current density of 0.5 A g−1) and CuHCF (236 F g−1 at a current density of 0.5 A g−1), which is rooted in the activation of copper ions in the electrochemical reaction and some synergistic effects (observed between rGO and CuHCF). The rGO/CuHCF nanocomposite electrode was able to retain 83% of its initial capacitance after 1000 cycles at a current density of 3 A g−1.
Synthesis of nanocomposites from cationic polyacrylamide and modified carbon black: Application as flocculants for oily sludge suspension
Authors: Tian Gongwei , Chen Ying , Liang Yuning , Gao Yanhua 
Published: October 2018

Carbon black was modified using various liquid‐phase oxidation methods (modified carbon black = m‐CB, m = (1, 2, 3): 1, sulfuric acid/potassium permanganate method; 2, nitric acid method; 3, hydrogen peroxide method). With acetone–ethylene glycol as initiator, dimethyldiallylammonium chloride (DMDAAC) and acrylamide (AM) as monomer, cationic polyacrylamide (CPAM) was prepared by UV excitation of the monomer. The m‐CB/CPAM nanocomposites were synthesized using a hydrothermal method. The factors that affected the molecular weight of CPAM were investigated, including the total monomer concentration, the dosage of the complex initiator, the mass ratio of mAM:mDMDAAC and the UV irradiation time. The chemical structures and morphologies of the samples were characterized using Fourier transform infrared spectroscopy, thermogravimetric analysis, elemental composition, X‐ray diffraction and scanning electron microscopy. 1‐CB/CPAM was utilized to flocculate oil sludge suspension, and the effects of 1‐CB quality, 1‐CB/CPAM dosage, temperature and pH value on the flocculation performance of 1‐CB/CPAM were investigated. The flocculation mechanism of 1‐CB/CPAM was also analyzed. The results show that 1‐CB/CPAM has an outstanding flocculation effect, and it flocculates oil sludge particles by adsorption bridging and charge neutralization in acidic and alkaline conditions.
Discussion of shale rock wettability and the methods to determine it
Authors: Sheng James J. 
Published: October 2018

AbstractBecause of ultra‐low permeability of shale rocks, capillary pressure is very high. Wettability not only determines the value of capillary pressure, but, more importantly, it also determines whether the capillary pressure is a driving force or a resistance to fluid flow. This paper is to address the wettability characteristics of shale rocks. First, the common methods to determine wettability are reviewed and discussed for their feasibility for shale rocks. It is found that the real reservoir wettability must be determined in a system with oil and water being present; it cannot be determined by comparing the water and oil‐wetting angles measured on dry rock surfaces. It is also interesting to note that more shale rocks are water wet, although the oil‐wetting angles are smaller than water‐wetting angles on dry rock surfaces. The factors that affect shale wettability are also reviewed.
Concurrent operant preference assessment to identify social consequences to decrease task latency for adolescents with dual diagnosis
Authors: Robinson Elizabeth S. , Desrochers Marcie , Napolitano Deborah A. 
Published: October 2018

Identifying effective reinforcers to use to increase desired behaviors is essential to the success of an intervention. Conducting preference assessments is a proven method for identification of effective reinforcers. In the current study, reinforcers were identified to decrease the latency of initiation of daily living skills such as laundry, showering, and chores in five individuals with dual diagnoses. A Concurrent Operant Preference Assessment measuring response allocation to social stimuli was completed with each individual to determine preferred consequence to increase task compliance. Results showed that all five participants decreased latency to initiate daily tasks once treatment was implemented compared with that during the baseline phase. These results were perceived as socially acceptable by staff, and the improvement was maintained 2 weeks beyond the completion of treatment.
Transcriptome‐wide association study identifies multiple genes and pathways associated with pancreatic cancer
Authors: Gong Liuyun , Zhang Dan , Lei Yutiantian , Qian Yuanjie , Tan Xinyue , Han Suxia 
Published: October 2018

AbstractAimTo identify novel candidate genes for pancreatic cancer.MethodsWe performed a transcriptome‐wide association study (TWAS) analysis of pancreatic cancer (PC). GWAS summary data were driven from the published studies of PC, totally involving 558 542 SNPs in 1896 individuals with pancreatic cancer and 1939 healthy controls. FUSION software was applied to the PC GWAS summary data for tissue‐related TWAS analysis, including whole blood, peripheral blood, adipose, and pancreas. The functional relevance of identified genes with PC was further validated by Oncomine, STRING, and CluePedia tool.ResultsTranscriptome‐wide association study analysis identified 19 genes significantly associated with PC, such as LRP5L (P value = 5.21 × 10‐5), SOX4 (P value = 3.2 × 10‐4), and EGLN3 (P value = 6.2 × 10‐3). KEGG pathway enrichment analysis detected several PC‐associated pathways, such as One carbon pool by folate (P value = 1.60 × 10‐16), Cell cycle (P value = 1.27 × 10‐7), TGF‐beta signaling pathway (P value = 4.64 × 10‐6). Further comparing the 19 genes with previously identified overexpressed genes in PC patients found one overlapped gene SOX4.ConclusionWe identified some novel candidate genes and pathways associated with PC. Our results provide novel clues for the genetic mechanism studies of pancreatic cancer.
Evaluation of Lignans from Piper cubeba against Schistosoma mansoni Adult Worms: A Combined Experimental and Theoretical Study
Authors: Parreira Renato L. T. , Costa Eveline S. , Heleno Vladimir C. G. , Magalhães Lizandra G. , Souza Julia M. , Pauletti Patrícia M. , Cunha Wilson R. , Januário Ana H. , Símaro Guilherme V. , Bastos Jairo K. , Laurentiz Rosangela S. , Kar Tapas , Caramori Giovanni F. , Kawano Daniel Fábio , Andrade e Silva Márcio L. 
Published: October 2018

AbstractSix dibenzylbutyrolactonic lignans ((−)‐hinokinin (1), (−)‐cubebin (2), (−)‐yatein (3), (−)‐5‐methoxyyatein (4), dihydrocubebin (5) and dihydroclusin (6)) were isolated from Piper cubeba seed extract and evaluated against Schistosoma mansoni. All lignans, except 5, were able to separate the adult worm pairs and reduce the egg numbers during 24 h of incubation. Lignans 1, 3 and 4 (containing a lactone ring) were the most efficient concerning antiparasitary activity. Comparing structures 3 and 4, the presence of the methoxy group at position 5 appears to be important for this activity. Considering 1 and 3, it is possible to see that the substitution pattern change (methylenedioxy or methoxy groups) in positions 3′ and 4′ alter the biological response, with 1 being the second most active compound. Computational calculations suggest that the activity of compound 4 can be correlated with the largest lipophilicity value.
Effect of finger millet on nutritional, rheological, and pasting profile of whole wheat flat bread (chapatti)
Authors: Panghal Anil , Khatkar Bhupendar Singh , Yadav Deep Narayan , Chhikara Navnidhi 
Published: October 2018

AbstractBackground and objectivesSteam leavened flat breads (chapatti) are the staple food of Asian people and cheap source of protein and energy. Finger millet addition can significantly enhance the nutritional status of chapatti as well as utilization on domestic and industrial scale for nutritional security. The study was conducted to assess the effect of finger millet flour incorporation in whole wheat flour on dough characteristics, pasting, and chapatti making attributes.FindingsThe finger millet flour addition was negatively correlated (p ≤ 0.05) with water absorption capacity (r = −0.992), dough stability (r = −0.978), lightness (r = −0.999), puffing height (r = −0.996), and overall acceptability (r = −0.987) of the chapatti. The study clearly depicted that dough with 40% level of incorporation of finger millet flour possesses poor dough handling and sheeting characteristics. Redness and high phenolic content of finger millet accounted for reduced L* (46.73 ± 2.858) and b* (8.89 ± 0.425) values, whereas, a* values increased to 9.45 ± 0.325. Overall acceptability was also decreased from 9.0 ± 0.23 to 7.13 ± 0.22. The study concluded that addition of finger millet flour at 20% level resulted in dough with good handling and sheeting properties and overall acceptable chapatti.ConclusionsConsidering dough handling, sheeting, and sensory analysis, finger millet flour at 20% level addition was recommended for chapatti preparation. Finger millet flour addition improved the nutritional profile of chapatti.Significance and noveltyThis work extensively suggests that incorporation of finger millet will result in improvement of nutritional quality of chapatti as well as utilization of finger millet. This approach can be used to avail the nutritional benefits of finger millet as well as to increase the contribution of finger millet in food industry.
Hydrotreating Model Comparison of Raw Castor Oil and its Methyl Esters for Biofuel Production
Authors: Mederos-Nieto Fabián S. , Elizalde-Martínez Ignacio , Hernández-Altamirano Raúl , Trejo-Zárraga Fernando , Mena-Cervantes Violeta Y. , Ramírez-Jiménez Edgar , Vallarta-Cardona Daniela E. 
Published: October 2018

AbstractSome of the main problems during vegetable oil hydrotreating are the high heat of reaction released, the huge quantity of expensive hydrogen required, and the high corrosion rates in the equipment. Some insights into the advantages and disadvantages of processing raw vegetable oils or their respective fatty acid methyl esters are given. The ASPEN Plus process simulator was used for the simulation of a hydrotreating process, with two different feedstocks coming from the same plant: raw castor oil and castor oil methyl esters. That process was modeled with two stoichiometric reactors in series. The technical viability of using methyl esters as hydrotreating feedstock for the production of biofuels such as green gasoline and diesel is demonstrated.
Amoxicillin Extraction from Aqueous Solution by Emulsion Liquid Membranes Using Response Surface Methodology
Authors: Seifollahi Zahra , Rahbar-Kelishami Ahmad 
Published: October 2018

AbstractThe extraction of amoxicillin (AMX) from aqueous solutions by emulsion liquid membranes (ELMs) was investigated for the first time. The liquid membrane phase of the ELM consisted of Aliquat 336 as carrier, Span 80 as surfactant, n‐hexane as diluent, and sodium chloride solution as internal phase. Response surface methodology (RSM) based on central composite design (CCD) was applied to evaluate and optimize the effects of several parameters such as carrier concentration, feed concentration, internal phase concentration, and treat ratio (volume ratio of the external phase to the emulsion phase). A polynomial model was fitted to predict the extraction yield of AMX. Under optimized conditions, the highest extraction yield of AMX was 99.8 %.
Synthesis and Electrochemical Performances of γ‐KCoPO4 Nanocrystals as Promising Electrode for Aqueous Supercapatteries
Authors: Priyadharsini Natarajan , Surendran Subramani , Senthilkumar Baskar , Vasylechko Leonid , Selvan Ramakrishnan Kalai 
Published: October 2018

AbstractHerein, discrete γ‐KCoPO4 nanocrystals were prepared by a facile, green and fast sol‐gel route. The lattice parameters as well as positional and displacement parameters of atoms in the average γ‐KCoPO4 structure with a space group of P21/n were calculated using full profile Rietveld refinement. Monodispersed quadrangular γ‐KCoPO4 nanocrystals with improved phase purity and crystallinity were found through XRD patterns and HRTEM images. Subsequently, the prepared γ‐KCoPO4 nanocrystals were tested as electrode material for supercapatteries in aqueous electrolytes. The γ‐KCoPO4 electrode shows superior specific charge capacity of 309 C g−1 at 1 mV s−1 in 1 M KOH, compared to 1 M NaOH (222 C g−1) and 1 M LiOH (77 C g−1). Further, it exhibits improved electrochemical activity by delivering an impressive specific charge capacity of 100 C g−1 at a current of 0.6 mA cm−2 in an aqueous electrolyte medium with acceptable capacity retention. A lab‐scale supercapattery was assembled resembling the commercial device. The fabricated device delivered an enhanced specific energy of 28 W h kg−1 and a specific power of 1600 W kg−1 and prolonged cycle life of about 5000 cycles.