bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantification of Heterogeneous Degradation in Li‐Ion Batteries
Authors: Yang Yang , Xu Rong , Zhang Kai , Lee Sang‐Jun , Mu Linqin , Liu Pengfei , Waters Crystal K. , Spence Stephanie , Xu Zhengrui , Wei Chenxi , Kautz David J. , Yuan Qingxi , Dong Yuhui , Yu Young‐Sang , Xiao Xianghui , Lee Han‐Koo , Pianetta Piero , Cloetens Peter , Lee Jun‐Sik , Zhao Kejie , Lin Feng , Liu Yijin 
Published: May 2019

AbstractThe multiscale chemomechanical interplay in lithium‐ion batteries builds up mechanical stress, provokes morphological breakdown, and leads to state of charge heterogeneity. Quantifying the interplay in complex composite electrodes with multiscale resolution constitutes a frontier challenge in precisely diagnosing the fading mechanism of batteries. In this study, hard X‐ray phase contrast tomography, capable of nanoprobing thousands of active particles at once, enables an unprecedented statistical analysis of the chemomechanical transformation of composite electrodes under fast charging conditions. The damage heterogeneity is demonstrated to prevail at all length scales, which stems from the unbalanced electron conduction and ionic diffusion, and collectively leads to the nonuniform utilization of active particles spatially and temporally. This study highlights that the statistical mapping of the chemomechanical transformation offers a diagnostic method for the particles utilization and fading, hence could improve electrode formulation for fast‐charging batteries.
Improved SnO2 Electron Transport Layers Solution‐Deposited at Near Room Temperature for Rigid or Flexible Perovskite Solar Cells with High Efficiencies
Authors: Dong Qingshun , Li Jiangwei , Shi Yantao , Chen Min , Ono Luis K. , Zhou Ke , Zhang Chunyang , Qi Yabing , Zhou Yuanyuan , Padture Nitin P. , Wang Liduo 
Published: May 2019

AbstractElectron transport layer (ETL) is a functional layer of great significance for boosting the power conversion efficiency (PCE) of perovskite solar cells (PSCs). To date, it is still a challenge to simultaneously reduce the surface defects and improve the crystallinity in ETLs during their low‐temperature processing. Here, a novel strategy for the mediation of in situ regrowth of SnO2 nanocrystal ETLs is reported: introduction of controlled trace amounts of surface absorbed water on the fluorinated tin oxide (FTO) or indium–tin oxide (ITO) surfaces of the substrates using ultraviolet ozone (UVO) pretreatment. The optimum amount of adsorbed water plays a key role in balancing the hydrolysis–condensation reactions during the structural evolution of SnO2 thin films. This new approach results in a full‐coverage SnO2 ETL with a desirable morphology and crystallinity for superior optical and electrical properties, as compared to the control SnO2 ETL without the UVO pretreatment. Finally, the rigid and flexible PSC devices based on the new SnO2 ETLs yield high PCEs of up to 20.5% and 17.5%, respectively.
High‐Performance Hydrogen Evolution by Ru Single Atoms and Nitrided‐Ru Nanoparticles Implanted on N‐Doped Graphitic Sheet
Authors: Tiwari Jitendra N. , Harzandi Ahmad M. , Ha Miran , Sultan Siraj , Myung Chang Woo , Park Hyo Ju , Kim Dong Yeon , Thangavel Pandiarajan , Singh Aditya Narayan , Sharma Pankaj , Chandrasekaran Selvaraj Selva , Salehnia Foad , Jang Ji‐Wook , Shin Hyeon Suk , Lee Zonghoon , Kim Kwang S. 
Published: May 2019

AbstractThe most efficient electrocatalyst for the hydrogen evolution reaction (HER) is a Pt‐based catalyst, but its high cost and nonperfect efficiency hinder wide‐ranging industrial/technological applications. Here, an electrocatalyst of both ruthenium (Ru) single atoms (SAs) and N‐doped‐graphitic(GN)‐shell‐covered nitrided‐Ru nanoparticles (NPs) (having a Ru‐Nx shell) embedded on melamine‐derived GN matrix {1: [Ru(SA)+Ru(NP)@RuNx@GN]/GN}, which exhibits superior HER activity in both acidic and basic media, is presented. In 0.5 m H2SO4/1 m KOH solutions, 1 shows diminutive “negative overpotentials” (−η = |η| = 10/7 mV at 10 mA cm−2, lowest ever) and high exchange current densities (4.70/1.96 mA cm−2). The remarkable HER performance is attributed to the near‐zero free energies for hydrogen adsorption/desorption on Ru(SAs) and the increased conductivity of melamine‐derived GN sheets by the presence of nitrided‐Ru(NPs). The nitridation process forming nitrided‐Ru(NPs), which are imperfectly covered by a GN shell, allows superb long‐term operation durability. The catalyst splits water into molecular oxygen and hydrogen at 1.50/1.40 V (in 0.1 m HClO4/1 m KOH), demonstrating its potential as a ready‐to‐use, highly effective energy device for industrial applications.
On‐Chip MXene Microsupercapacitors for AC‐Line Filtering Applications
Authors: Jiang Qiu , Kurra Narendra , Maleski Kathleen , Lei Yongjiu , Liang Hanfeng , Zhang Yizhou , Gogotsi Yury , Alshareef Husam N. 
Published: May 2019

AbstractMicrosupercapacitors (MSCs) with high energy densities offer viable miniaturized alternatives to bulky electrolytic capacitors if the former can respond at the kilo Hertz (kHz) or higher frequencies. Moreover, MSCs fabricated on a chip can be integrated into thin‐film electronics in a compatible manner, serving the function of ripple filtering units or harvesters of energy from high‐frequency sources. In this work, wafer‐scale fabrication is demonstrated of MXene microsupercapacitors with controlled flake sizes and engineered device designs to achieve excellent frequency filtering performance. Specifically, the devices (100 nm thick electrodes and 10 µm interspace) deliver high volumetric capacitance (30 F cm−3 at 120 Hz), high rate capability (300 V s−1), and a very short relaxation time constant (τ0 = 0.45 ms), surpassing conventional electrolytic capacitors (τ0 = 0.8 ms). As a result, the devices are capable of filtering 120 Hz ripples produced by AC line power at a frequency of 60 Hz. This study opens new avenues for exploring miniaturized MXene MSCs as replacements for bulky electrolytic capacitors.
Flow characteristics of vortex based cavitation devices
Authors: Simpson Alister , Ranade Vivek V. 
Published: May 2019

AbstractVortex based hydrodynamic cavitation (HC) devices offer various advantages over conventional linear flow devices, such as early inception, low erosion risk, and higher cavitational yield. Despite several promising applications, the key underlying flow characteristics are not yet adequately understood. This article presents results of a computational investigation into cavitation in vortex devices. Multiphase computational fluid dynamics results are presented and compared with experimental data on pressure drop over a range of flow rates. The results highlight the unique hydrodynamic characteristics of this type of device in relation to conventional linear flow reactors; cavitation inception occurs in the liquid bulk away from sold surfaces, and rapid pressure recovery rates are achieved. The models were used to simulate detailed time–pressure histories for individual vapor cavities, including turbulent fluctuations. The developed approach, models and results will provide a sound and useful basis for comprehensive multiscale modeling of vortex‐based devices for HC.
Synthesis of 2‐Arylquinolines from 2‐Iodoanilines and β‐Chloropropiophenones via Palladium‐Catalyzed Cascade Reaction
Authors: Yoon Jooyeon , Cheon Cheol‐Hong 
Published: May 2019

AbstractA protocol to access 2‐aryl‐substituted quinolines from readily available 2‐iodoanilines and β‐chloropropiophenones, which are synthetic equivalents of acrylophenones, has been developed via the palladium‐catalyzed cascade reaction. Various 2‐iodoanilines and β‐chloropropiophenones were applicable to this protocol to afford the desired quinoline products in good to high yields. Moreover, we demonstrated the usefulness of this protocol in direct synthesis of chloride‐bridged dimeric iridium complexes, one of the key intermediates in the synthesis of iridium‐based phosphorous materials, without the complete isolation of the quinolines.
Schalten in Metall‐organischen Gerüsten
Authors: Bigdeli Fahime , Lollar Christina T. , Morsali Ali , Zhou Hong‐Cai 
Published: May 2019

AbstractAufgrund ihrer einstellbaren Poren und nahezu grenzenlosen Strukturdiversität, die sich aus dem Design verschiedener organischer Linker und metallischer Strukturbaueinheiten ableitet, haben sich Metall‐organische Gerüste (MOFs) in den vergangenen Jahren zu einem intensiv beforschten Gebiet entwickelt. Zu den größten Aufgaben gehören schaltbare MOFs und ihre Anwendung. Schaltbare MOFs sind “intelligente” Materialien, die bei Exposition gegenüber externen Stimuli eine deutliche, reversible, chemische Veränderung ihrer Struktur durchlaufen, was interessante technische Anwendungen ermöglicht. Obwohl dieser Prozess des Schaltens Ähnlichkeiten mit Flexibilität aufweist, haben sich nur sehr wenige Studien speziell mit Schalten beschäftigt, wohingegen sich eine recht große Zahl von Arbeiten und Übersichten mit der Flexibilität in MOFs beschäftigt. Dieser Aufsatz konzentriert sich auf die Eigenschaften und das allgemeine Design schaltbarer MOFs. Dabei wird die Schaltaktivität basierend auf der Ursache des Schaltens beschrieben: Licht, Spincrossover, Redoxchemie, Temperatur und Benetzbarkeit.
Kinetic Resolution of Tertiary 2‐Alkoxycarboxamido‐Substituted Allylic Alcohols by Chiral Phosphoric Acid Catalyzed Intramolecular Transesterification
Authors: Rajkumar Subramani , He Shunlong , Yang Xiaoyu 
Published: May 2019

AbstractA highly enantioselective kinetic resolution of tertiary 2‐alkoxycarboxamido allylic alcohols has been achieved through a chiral phosphoric acid catalyzed intramolecular transesterification reaction. Both alkyl,aryl‐ and dialkyl‐substituted tertiary allylic alcohols were resolved with excellent efficiencies, affording both the recovered tertiary alcohols and the carbamate products with high enantioselectivities (with s factors up to 164.6). A gram‐scale reaction with 1 mol % catalyst loading and the facile conversion of the enantioenriched products into useful chiral building blocks, such as chiral oxazolidinones and β‐amino alcohols, demonstrate the value of this reaction.
Switching in Metal–Organic Frameworks
Authors: Bigdeli Fahime , Lollar Christina T. , Morsali Ali , Zhou Hong‐Cai 
Published: May 2019

AbstractIn recent years, metal–organic frameworks (MOFs) have become an area of intense research interest because of their adjustable pores and nearly limitless structural diversity deriving from the design of different organic linkers and metal structural building units (SBUs). Among the recent great challenges for scientists include switchable MOFs and their corresponding applications. Switchable MOFs are a type of smart material that undergo distinct, reversible, chemical changes in their structure upon exposure to external stimuli, yielding interesting technological applicability. Although the process of switching shares similarities with flexibility, very limited studies have been devoted specifically to switching, while a fairly large amount of research and a number of Reviews have covered flexibility in MOFs. This Review focuses on the properties and general design of switchable MOFs. The switching activity has been delineated based on the cause of the switching: light, spin crossover (SCO), redox, temperature, and wettability.
Plant‐supported silver nanoparticles: Efficient, economically viable and easily recoverable catalyst for the reduction of organic pollutants
Authors: Ismail Muhammad , Khan M.I. , Khan Murad Ali , Akhtar Kalsoom , Asiri Abdullah M. , Khan Sher Bahadar 
Published: May 2019

Ginger rhizome powder was used for the synthesis of supported metallic nanoparticle catalysts. A simple and novel adsorption method was used for the synthesis of silver nanoparticles loaded on ginger powder (Ag/GP), copper on ginger powder (Cu/GP) and nickel on ginger powder (Ni/GP). Among these, Ag/GP showed selective reduction of methyl orange and was used for further reactions. The prepared nanomaterials were characterized through X‐ray diffraction, transmission electron microscopy, field emission scanning electron microscopy, fourier transform infrared spectroscopy and energy‐dispersive X‐ray spectroscopy. The prepared Ag/GP catalyst was employed in the catalytic reduction of 4‐nitrophenol (4‐NP), 2‐nitrophenol (2‐NP), rhodamine B, methyl red and congo red. Ag/GP showed excellent catalytic reduction activity, the rate constants being 1.26 × 10−3 and 2.38 × 10−3 s−1 for 2‐NP and 4‐NP, respectively. The turnover frequency reached 1.06 min−1 for 2‐NP and 1.16 min−1 for 4‐NP when using the Ag/GP catalyst. The prepared Ag/GP catalyst demonstrated outstanding activity for the degradation of a mixed solution of dyes. Also, stability and reusability of the prepared catalyst were investigated, which showed outstanding reusability up to five times and was stable up to five days.
Diphallia, Double Bladder, and Two Hemiscrotums: A Case Report
Authors: Dunn Debra , Fine Ronnie G. 
Published: May 2019

AbstractComplete diphallia, a rare urogenital congenital anomaly in which a male is born with two fully formed phalluses, occurs in one out of every five to six million live births. The condition is characterized by two separate phalluses, each of which comprise a pair of corpora cavernosa and one corpus spongiosum with an orthotopic urethra. Approximately 100 cases have been reported worldwide, and it is thought that each case is unique. This article discusses diphallia, urethral duplication, and bladder duplication and concludes with a case study involving a three‐year‐old male born to consanguineous parents from a small, remote community in Ecuador who underwent surgery for correction of a complete coronal penile and bladder duplication. After consultation, the patient was scheduled for a right penectomy and cystoplasty.
Ascorbic Acid Promotes Procollagen C‐Proteinase Enhancer 1 Expression, Secretion, and Cell Membrane Localization
Authors: Gohar Ofra , Weiss Tali , Wineman Eitan , Kessler Efrat 
Published: May 2019

ABSTRACTRemoval of the C‐propeptide from fibrillar procollagens is essential for collagen fibril assembly. The reaction is catalyzed by bone morphogenetic protein‐1/tolloid‐like proteinases and is accelerated by procollagen C‐proteinase enhancer 1 (PCPE‐1), an extracellular matrix glycoprotein that binds to the procollagen C‐propeptide and its expression overlaps that of collagen. Ascorbic acid (Asc) is vital for collagen hydroxylation, folding, and secretion. It also increases collagen gene expression. The role of Asc as a regulator of PCPE‐1 expression is debatable. To shed further light on this matter, herein, we studied the effects of Asc on PCPE‐1 expression, secretion, and cellular localization in Rat2 and/or mouse 3T3 fibroblasts. Asc increased PCPE‐1 expression at the translational and transcriptional levels about two‐fold. It also increased the rate of PCPE‐1 secretion approximately six‐fold. Endogenous PCPE‐1 was found to be cell associated, and Asc increased the amount of PCPE‐1 on the cell surface. In the absence of PCPE‐1 hydroxylation, we propose that the dependence of PCPE‐1 secretion on Asc may be related to its role in procollagen secretion. Localization of PCPE‐1 to the cell membrane favors the cell‐surface as a physiological site of PCPE‐1 action. Anat Rec, 2019. © 2019 Wiley Periodicals, Inc.
Recent developments in the synthesis of poly(hydroxybutyrate) based biocomposites
Authors: Raza Zulfiqar Ali , Noor Safa , Khalil Shanza 
Published: May 2019

AbstractPoly(hydroxybutyrate) (PHB) has become an attractive biomaterial in research and development for past few years. It is natural bio‐based aliphatic polyester produced by many types of bacteria. Due to its biodegradable, biocompatible, and eco‐friendly nature, PHB can be used in line with bioactive species. However, high production cost, thermal instability, and poor mechanical properties limit its desirable applications. So there is need to incorporate PHB with other materials or biopolymers for the development of some novel PHB based biocomposites for value addition. Many attempts have been employed to incorporate PHB with other biomaterials (or biopolymers) to develop sustainable biocomposites. In this review, some recent developments in the synthesis of PHB based biocomposites and their biomedical, packaging and tissue engineering applications have been focused. The development of biodegradable PHB based biocomposites with improved mechanical properties could be used to overcome its native limitations hence to open new possibilities for industrial applications.
Virtual Screening Based on Ensemble Docking Targeting Wild‐Type p53 for Anticancer Drug Discovery
Authors: Li Xin , Zhang Xin‐Xin , Lin Yu‐Xi , Xu Xi‐Ming , Li Li , Yang Jin‐Bo 
Published: May 2019

AbstractThe tumor‐suppressor function of p53 makes it an attractive drug target. Efforts were mostly put on stabilization of the functional p53 or reactivation of mutated p53. Previous studies have shown that small molecules targeting Loop1/Sheet3 (L1/S3) can reactivate the R175H‐p53 and stabilize p53 in vitro. Since the L1/S3 pocket is shared by the mutate and the wild type (WT) p53, virtual screening is introduced to identify natural products targeting the L1/S3 of WT p53. Considering the high flexibility of Loop1, ensemble docking method is utilized for different clusters of the L1/S3. Seven conformations were chosen for docking. As one of the 181 selected candidates, torilin not only improved p53 activity, but also increased p21 protein expression level, which lies downstream of p53, therefore suppressing HCT116 cancer cell growth. Torilin may covalently bind to Cys124 of p53 by 2‐methyl‐2‐butenal (2M2B) group, as torilin derivatives, which do not contain the 2M2B group, were not able to increase the p53 transcription activity. In conclusion, this study demonstrated that L1/S3 of WT‐p53 is a druggable pocket, and torilin has a potential cytotoxicity through activating the p53 pathway.
Extracellular‐signal‐regulated kinase/mitogen‐activated protein kinase signaling as a target for cancer therapy: an updated review
Authors: Najafi Masoud , Ahmadi Amirhossein , Mortezaee Keywan 
Published: May 2019

AbstractMitogen‐activated protein kinase (MAPK) signaling pathway is activated in a wide spectrum of human tumors, exhibiting cardinal oncogenic roles and sustained inhibition of this pathway is considered as a primary goal in clinic. Within this pathway, receptor tyrosine kinases such as epithelial growth factor receptor, mesenchymal–epithelial transition, and AXL act as upstream regulators of RAS/RAF/MEK/extracellular‐signal‐regulated kinase. MAPK signaling is active in both early and advanced stages of tumorigenesis, and it promotes tumor proliferation, survival, and metastasis. MAPK regulatory effects on cellular constituent of the tumor microenvironment is for immunosuppressive purposes. Cross‐talking between MAPK with oncogenic signaling pathways including WNT, cyclooxygenase‐2, transforming growth factor‐β, NOTCH and (in particular) with phosphatidylinositol 3‐kinase is contributed to the multiplication of tumor progression and drug resistance. Developing resistance (intrinsic or acquired) to MAPK‐targeted therapy also occurs due to heterogeneity of tumors along with mutations and negative feedback loop of interactions exist between various kinases causing rebound activation of this signaling. Multidrug regimen is a preferred therapeutic avenue for targeting MAPK signaling. To enhance patient tolerance and to mitigate potential adversarial effects related to the combination therapy, determination of a desired dose and drug along with pre‐evaluation of cancer‐type‐specific kinase mutation and sensitivity, especially for patients receiving triplet therapy is an urgent need.
Properties of carbonized wheat kernels from the late Neolithic site of Donghuishan, Gansu Province, China
Authors: Wei Yimin , Guo Boli , Ren Mankuan 
Published: May 2019

AbstractBackground and objectivesThe Dongshuishan ruins in Minle, Gansu, is a site of the late Neolithic (Siba culture) with crop cultivation history. A total of 105 carbonized wheat kernels (Triticum aestivum) were found at the ruins. The properties of carbonized kernels were analyzed and then compared with modern wheat kernels.FindingsThe single kernel weight of carbonized kernel was 9.52 mg on average, and the length and width of a kernel were 4.62 and 3.26 mm on average, respectively. The ratio of kernel width to length was 0.71 on average. The kernel length was shorter than that of modern wheat variety, but with a similar kernel width. The carbonized kernels were higher in 15N isotope content and high in the major minerals zinc (Zn), copper (Cu), lead (Pb), and strontium (Si). The carbonized kernels have existed since 3,463–3,361 cal BP.ConclusionsIt is estimated that the single kernel weight from Donghuishan was 45–47% of that of the modern wheat. Studying the properties of carbonized wheat affords us a significant reference that merits attention in the progress of improving and evolving varieties in the last hundred years in China.Significance and noveltyAscertaining the cultivation years of wheat in Donghuishan and analyzing the spread of wheat from West Asia to East Asia provided historic evidence for how the wheat spread from Donghuishan to middle China since 4,000 years ago.
Impact of Solute Properties and Water Matrix on Nanofiltration of Pesticides
Authors: Tan Lian See , Ahmad Abdul Latif , Shukor Syamsul Rizal Abd , Yeap Swee Pin 
Published: May 2019

AbstractThe application of different nanofiltration membranes for the separation of pesticides, i.e., atrazine and dimethoate, from aqueous solutions is described. The nanoflitration membranes DK, NF270, NF200, and NF90 were tested for the pesticide retention performance in a stirred dead‐end filtration system. NF90 demonstrated the best pesticide retention with over 95 % for atrazine and approximately 80 % for dimethoate. All membranes consistently showed better retention of atrazine than of dimethoate. Dissolving the pesticides in river or tap water amplified the overall pesticide retention performance, indicating that filtration in water treatment plants could render superior pesticide retention. However, a lower flux was obtained for the filtration of tap and river water.
Suppressing Charge Recombination and Ultraviolet Light Degradation of Perovskite Solar Cells Using Silicon Oxide Passivation
Authors: Ren Jing , Luo Qiang , Hou Qinzhi , Chen Hui , Liu Tao , He Hongcai , Wang Jinshu , Shao Qian , Dong Mengyao , Wu Shide , Wang Ning , Lin Jing , Guo Zhanhu 
Published: May 2019

AbstractOrganic‐metal lead halide perovskite solar cells (PSCs) featuring low‐cost and high efficiency have been recognized as promising photovoltaic devices, but their serious charge recombination and ultraviolet light irradiation instability limit their output efficiency and long‐term operation. In this work, we have introduced silicon oxide as an interfacial modifier of the electron transporting layer in TiO2‐based planar heterojunction PSCs. The incorporation of a silicon oxide modifier passivates the trap states of perovskite absorber and suppresses the charge recombination of PSCs. As a consequence, a competitive solar‐to‐electricity conversion efficiency of 18.0 % was achieved for the device fabricated with the silicon‐oxide‐modified TiO2 electron extraction layer, which is increased by 15 % compared with the PSC fabricated with pristine TiO2; this can be attributed to the significantly increased open‐circuit voltage and photocurrent density. Furthermore, the ultraviolet light irradiation stability of PSCs is greatly improved, resulting from the low photocatalytic activity of the silicon‐oxide‐modified TiO2 electron transporting layer, as revealed by the photoelectrochemical oxidation of CH3NH2. This work represents a feasible step through interfacial engineering toward the realization of ultraviolet‐light‐stable and scalable PSCs.