bluuebunny/crossref_metadata_2025 huggingface dataset:
Implementation of Regional Regulation No 11 of 2016 Concerning the Development Master plan Regional Tourism: A Proposal for Improvement from a Sustainability Perspective
Authors: Lapagu Defri Lilyandari , Hamim Udin , Tui Fenti Prihatini Dance
Published: December 2024

Fort Otanaha has a rich historical value. Built in the 16th century by the Kingdom of Gorontalo, the fort is one of the glorious examples of ancient defence architecture. Known as a symbol of the strength and courage of the Gorontalo people against the invaders, the fort has a strong symbolic value for the local community and is an integral part of cultural identity. This research aims to find out and describe the implementation and determinants of the implementation of regional regulation number 11 of 2016 concerning regional tourism development master plan at Otanaha fort tourist attraction Gorontalo City. This research was conducted in Otanaha Fort tourist attraction and Gorontalo City Government environment. The research was conducted in May - October 2024. The research approach used is a qualitative method with descriptive research methods and research procedures carried out by observation and interviews with informants. The data analysis technique was carried out through three stages starting from data reduction, data display, and conclusion drawing/verification. The results showed that the implementation of Regional Regulation Number 11 of 2016 concerning Regional Tourism Development Master Plan in Fort Otanaha tourist attraction in Gorontalo City aims to develop a sustainable tourism sector and increase local economic potential. This policy covers various aspects, from infrastructure development, cultural heritage preservation, to tourism promotion. Despite experiencing challenges, especially during the COVID-19 pandemic, strategic measures such as improving accessibility and cooperation between various related agencies are expected to maximise the tourism potential of Fort Otanaha as a leading destination. At the planning stage, various tourism development strategies and programmes were prepared to increase tourist attractiveness. Furthermore, in the implementation, various initiatives are carried out, such as infrastructure development and human resource training. Monitoring and evaluation were conducted to ensure conformity between plan and realisation, as well as to identify any obstacles that arose. Despite the challenges, collaborative efforts between relevant agencies contribute to sustainable tourism development. The successful implementation of Regional Regulation No. 11/2016 at Fort Otanaha is influenced by several factors, namely the standard factor and policy objectives are good because they provide clear direction in implementation.
Effect of Different Temperatures on Reactions of Potassium Adsorption and Availability in Saline Soils within Nineveh Governorate, Iraq
Authors: Al-Jubory Haneen H. A. , Al-Khafagi Qahtan D. Essa
Published: December 2024

Thermodynamic criteria were used to evaluate the adsorption and release of potassium in saline soils. The study was conducted on three sites that differ in salt content in Nineveh Governorate - Iraq, and each site is divided into two depths (surface and subsurface). The study was conducted at three temperatures (278, 298, 318 Kelvin). The results of the study showed that there was an increase in the amount of potassium adsorbed and the percentage of adsorption with an increase in the amount of potassium added in all the studied soil samples. For the ability of the soil to the adsorption, the results showed a sudden increase in the adsorption of potassium at the application of the high levels (1 and 2 mmolL-1) of potassium in all the studied soils. Also, the highest value of the ionic activity of potassium (ARk) was (14.05 × 10-3 molL-1/2), at a temperature of 298 K in the subsurface soil layer of the first site, while the lowest one was (1.61 × 10-3 molL-1/2), in the same layer of the first site at a temperature of 278 K. The values ​​of free energy of potassium, ΔGK, in the studied soils ranged from the highest value reached (-14.85×10-3 kJ) at a temperature of 278 K, to the lowest value, reached (-10.56×10-3 KJ) at a temperature of 298 K, in the subsurface soil layer of the first site. Regarding the values ​​of entropy reaction, they ranged from the highest value of -53.43 Jmol-1 in the subsurface depth of the first site at a temperature of 278 K to the lowest value of -35.46 in the same layer of the first site at a temperature of 298 K. On the other hand, the enthalpy values ​​of the studied soil samples were negative, which indicates that the reaction is of the exothermic type, where the highest negative value for enthalpy was -29.70 kJmol-1 at a temperature of 278 K in the subsurface soil layer of the first site and the lowest negative value, was -20.42 kJmol-1 in the same layer of the first site at a temperature of 298 K.
Effects of Micro Plastics on Fishes of Hooghly River, India
Authors: Das Rakhi , Malvi Megha
Published: December 2024

Plastic pollution is now a concerning issue which destroying the riverine ecology silently. Excessive use of plastics & indifference to removing plastic waste after use gives birth to microplastics. Rivers are the major track way which can caught plastic debris from surrounding landside & contaminate the aquatic life without degraded the matter for a long time. The research was conducted on the Hooghly river near Barrackpore in the West Bengal region of India. The research explores the matter of microplastics contamination in various fish species of Hooghly river & effects of microplastics in the fish body according to the size, concentration, physical component & polymerase type of microplastic. Mainly 0.3 mm to 5 mm sizes microplastics have been noticed in both fish & shore sediments of this river site. Mostly the fiber & fragment type microplastics elements were damage the liver & gill of fish badly.
Inland Fisheries in Telangana, India: Current Status and Perspectives
Authors: Dubany Uttej , Sailaja A. , Savitha B.
Published: December 2024

Inland fisheries refer to the practice of harvesting fish from freshwater ecosystems such as lakes, rivers, and wetlands. These fisheries play a vital role in providing food security and livelihood opportunities for millions of people. The inland fisheries sector in Telangana is an essential component of the state's socio-economic framework, contributing to livelihoods, food security, and overall economic development. Telangana, blessed with vast inland water resources, holds considerable potential for enhancing fisheries production through reservoirs, tanks, and rivers. This research provides a comprehensive review of the current status of inland fisheries in Telangana, emphasizing its contribution to the state's Gross State Domestic Product (GSDP) and the well-being of fishing communities. The study explores government initiatives, fish production trends, and the challenges faced by the sector. The findings underscore the need for sustainable management and enhanced aquaculture practices to bridge the gap between supply and demand.
Recommendation Rates for Physical Therapy, Lifestyle Counseling, and Pain Medications for Managing Knee Osteoarthritis in Ambulatory Care Settings: A Cross‐Sectional Analysis of the National Ambulatory Care Survey (2007–2015)
Authors: Khoja Samannaaz S. , Almeida Gustavo J. , Freburger Janet K.
Published: October 2019

Objective

To describe and compare triennial rates of physicians’ recommendations for physical therapy (PT), lifestyle counseling, and pain medication for knee osteoarthritis (OA) and to identify patient, physician, and practice factors associated with each treatment recommendation.

Methods

We conducted a cross‐sectional analysis examining data between 2007 and 2015 from the National Ambulatory Medical Care Survey. Visits to orthopedists and primary care physicians for knee OA were identified and assessed for the following: PT referral, lifestyle counseling, nonsteroidal antiinflammatory drug (NSAID) prescriptions, and narcotics prescriptions. Triennial rates for each treatment were calculated. We examined associations between patient (e.g., race, insurance), physician, and practice factors (e.g., ownership, location) and treatments prescribed using multivariate logistic regression that accounted for complex sampling design.

Results

A total of 2,297 physician visits related to knee OA (~67 [±4] million weighted visits) were identified. For visits to orthopedists, PT and lifestyle recommendation rates declined (158 to 88 of 1,000 visits and 184 to 86 of 1,000 visits, respectively), while NSAID and narcotics prescriptions increased (132 to 278 of 1,000 visits and 77 to 236 of 1,000 visits, respectively) over time (P < 0.05). For visits to primary care physicians, there were no significant changes in rates of PT, lifestyle counseling, and narcotics prescriptions over time, while NSAIDs prescriptions increased (221 to 498 of 1,000 visits; P < 0.05). Treatment recommendations were associated with nonclinical factors, including practice type, location, and type of provider.

Conclusion

In patients with knee OA, PT and lifestyle counseling seem underutilized, while pain medication prescriptions increased during the investigated timeframe. Variation in treatment choices were associated with nonclinical factors. Future research is necessary to examine ways to improve PT and lifestyle utilization and reduce variation in care for knee OA.
Charge‐Transport Properties of F6TNAP‐Based Charge‐Transfer Cocrystals
Authors: Dasari Raghunath R. , Wang Xu , Wiscons Ren A. , Haneef Hamna F. , Ashokan Ajith , Zhang Yadong , Fonari Marina S. , Barlow Stephen , Coropceanu Veaceslav , Timofeeva Tatiana V. , Jurchescu Oana D. , Brédas Jean‐Luc , Matzger Adam J. , Marder Seth R.
Published: October 2019

The crystal structures of the charge‐transfer (CT) cocrystals formed by the π‐electron acceptor 1,3,4,5,7,8‐hexafluoro‐11,11,12,12‐tetracyanonaphtho‐2,6‐quinodimethane (F6TNAP) with the planar π‐electron‐donor molecules triphenylene (TP), benzo[b]benzo[4,5]thieno[2,3‐d]thiophene (BTBT), benzo[1,2‐b:4,5‐b′]dithiophene (BDT), pyrene (PY), anthracene (ANT), and carbazole (CBZ) have been determined using single‐crystal X‐ray diffraction (SCXRD), along with those of two polymorphs of F6TNAP. All six cocrystals exhibit 1:1 donor/acceptor stoichiometry and adopt mixed‐stacking motifs. Cocrystals based on BTBT and CBZ π‐electron donor molecules exhibit brickwork packing, while the other four CT cocrystals show herringbone‐type crystal packing. Infrared spectroscopy, molecular geometries determined by SCXRD, and electronic structure calculations indicate that the extent of ground‐state CT in each cocrystal is small. Density functional theory calculations predict large conduction bandwidths and, consequently, low effective masses for electrons for all six CT cocrystals, while the TP‐, BDT‐, and PY‐based cocrystals are also predicted to have large valence bandwidths and low effective masses for holes. Charge‐carrier mobility values are obtained from space‐charge limited current (SCLC) measurements and field‐effect transistor measurements, with values exceeding 1 cm2 V−1 s1 being estimated from SCLC measurements for BTBT:F6TNAP and CBZ:F6TNAP cocrystals.
Bioinspired Graphene Oxide Membranes with Dual Transport Mechanisms for Precise Molecular Separation
Authors: Dou Haozhen , Xu Mi , Jiang Bin , Wen Guobin , Zhao Lei , Wang Baoyu , Yu Aiping , Bai Zhengyu , Sun Yongli , Zhang Luhong , Chen Zhongwei , Jiang Zhongyi
Published: October 2019

The implementation of membrane technology to replace or combine with energy‐intensive cryogenic distillation for precise separation of ethylene/ethane mixture proves an extremely important yet highly challenging task. Inspired by the hierarchical structure and facilitated gas transport of biological membranes, a highly selective ethylene/ethane separation membrane is explored through the fixation of a silver ion carrier and the impregnation of ionic liquid within 2D nanochannels of graphene oxide laminate, where plenty of ethylene‐permeating in‐plane nano‐wrinkles and ethylene‐facilitated plane‐to‐plane nanochannels are constructed. By virtue of synergistic effects of molecular sieving and carrier‐facilitated transport, an unprecedented combination of high ethylene permeance (72.5 GPU) and superhigh ethylene/ethane selectivity (215) is achieved, out‐performing currently reported advanced membranes. Moreover, molecular dynamics simulations verify a favorable membrane nanostructure for fast and selective transport of ethylene molecules. This bioinspired approach with dual transport mechanisms may open novel avenues to the design of high‐performance membranes for precise molecular separation.
Perylene Diimide‐Based Nonfullerene Polymer Solar Cells with over 11% Efficiency Fabricated by Smart Molecular Design and Supramolecular Morphology Optimization
Authors: Zhang Guangjun , Feng Jirui , Xu Xiaopeng , Ma Wei , Li Ying , Peng Qiang
Published: October 2019

A series of perylene diimide (PDI) derivatives, TPP‐PDI, TPO‐PDI, and TPS‐PDI, are developed for nonfullerene polymer solar cells (NF‐PSCs) by flaking three PDI skeletons around 3D central cores with different configurations and electronic states, such as triphenylphosphine (TPP), triphenylphosphine monoxide (TPO), and triphenylphosphine sulfide (TPS). These small‐molecule acceptors have a “three‐wing propeller” structure due to their similar backbones. By changing the electron density of phosphorus atoms through oxidation and sulfuration, the “folding‐back” strength is decreased, resulting in a less twisted molecular conformation. The stronger electron‐withdrawing ability of the oxygen atom affords TPO‐PDI the least twisted conformation, which enhances the crystallinity of this complex. NF‐PSCs based on PTTEA:TPO‐PDI exhibit a high power conversion efficiency (PCE) of 8.65%. Ultimately, the joint “molecular lock” effect arising from OH⋅⋅⋅F and OH⋅⋅⋅OP supramolecular interactions is achieved by introducing 4,4′‐biphenol as an additive, which successfully promotes fibril‐like phase separation and blend morphology optimization to generate the highest PCE of 11.01%, which is currently the highest value recorded for NF‐PSCs based on PDI acceptors.
Current Localization and Redistribution as the Basis of Discontinuous Current Controlled Negative Differential Resistance in NbOx
Authors: Nandi Sanjoy Kumar , Nath Shimul Kanti , El‐Helou Assaad E. , Li Shuai , Liu Xinjun , Raad Peter E. , Elliman Robert G.
Published: October 2019

Devices exploiting negative differential resistance (NDR) are of particular interest for analog computing applications, including oscillator‐based neural networks. These devices typically exploit the continuous S‐shaped current–voltage characteristic produced by materials with a strong temperature‐dependent electrical conductivity, but recent studies have also highlighted the existence of a second, discontinuous (snap‐back) characteristic that has the potential to provide additional functionality. The development of devices based on this characteristic is currently limited by uncertainty over the underlying physical mechanism, which remains the subject of active debate. In situ thermoreflectance imaging and a simple model are used to finally resolve this issue. Specifically, it is shown that the snap‐back response is a direct consequence of current localization and redistribution within the oxide film, and that material and device dependencies are consistent with model predictions. These results conclusively demonstrate that the snap‐back characteristic is a generic response of materials with a strong temperature‐dependent conductivity and therefore has the same physical origin as the S‐type characteristic. This is a significant outcome that resolves a long‐standing controversy and provides a solid foundation for engineering functional devices with specific NDR characteristics.
Recent Progress in Ferroptosis Inducers for Cancer Therapy
Authors: Liang Chen , Zhang Xinglin , Yang Mengsu , Dong Xiaochen
Published: October 2019

Ferroptosis is a newly discovered form of regulated cell death that is the nexus between metabolism, redox biology, and human health. Emerging evidence shows the potential of triggering ferroptosis for cancer therapy, particularly for eradicating aggressive malignancies that are resistant to traditional therapies. Recently, there has been a great deal of effort to design and develop anticancer drugs based on ferroptosis induction. Recent advances of ferroptosis‐inducing agents at the intersection of chemistry, materials science, and cancer biology are presented. The basis of ferroptosis is summarized first to highlight the feasibility and characteristics of triggering ferroptosis for cancer therapy. A literature review of ferroptosis inducers (including small molecules and nanomaterials) is then presented to delineate their design, action mechanisms, and anticancer applications. Finally, some considerations for research on ferroptosis inducers are spotlighted, followed by a discussion on the challenges and future development directions of this burgeoning field.
Photodeformable Azobenzene‐Containing Liquid Crystal Polymers and Soft Actuators
Authors: Pang Xinlei , Lv Jiu‐an , Zhu Chongyu , Qin Lang , Yu Yanlei
Published: October 2019

Photodeformable liquid crystal polymers (LCPs) that adapt their shapes in response to light have aroused a dramatic growth of interest in the past decades, since light as a stimulus enables the remote control and diverse deformations of materials. This review focuses on the growing research on photodeformable LCPs, including their basic actuation mechanisms, the various deformation modes, the newly designed molecular structures, and the improvement of processing techniques. Special attention is devoted to the novel molecular structures of LCPs, which allow for easy processing and alignment. The soft actuators with various deformation modes such as bending, twisting, and rolling in response to light are also covered with the emphasis on their photo‐induced bionic functions. Potential applications in energy harvesting, self‐cleaning surfaces, sensors, and photo‐controlled microfluidics are further illustrated. The existing challenges and future directions are discussed at the end of this review.
Polariton Photonics Using Structured Metals and 2D Materials
Authors: Cai Ziqiang , Xu Yihao , Wang Chuangtang , Liu Yongmin
Published: October 2019

Polaritons are quasiparticles originating from strong interactions between photons and elementary excitations that could enable high tunability, tight electromagnetic field confinement, and large density of photonic states, making it possible to achieve novel and otherwise inaccessible functionalities. For these reasons, polaritons spawn great interest in the fields of physics, materials science, and optics for both fundamental studies as well as potential applications (e.g., modulators, photodetectors, photoluminescence, etc.). In recent years, the explosive growth of research in graphene and other 2D van der Waals materials is witnessed because they provide a new platform that substantially complements conventional metals, dielectrics, and semiconductors to investigate different polariton modes. This review highlights the works published in recent years on the topic of polariton photonics based on structured metals, graphene, and transition‐metal dichalcogenides (TMDs). The exotic optical properties of the polaritons in metallic structures and 2D van der Waals materials offer bright prospects for the development of high‐performance photonic and optoelectronic devices.
Selecting Appropriate Clustering Methods for Materials Science Applications of Machine Learning
Authors: Parker Amanda J. , Barnard Amanda S.
Published: October 2019

Based on a general definition of a cluster and the quality of a clustering result, a new method for evaluating existing clustering algorithms, or undertaking clustering, capable of predicting the number and type of clusters and outliers present in a data set, regardless of the complexity of the distribution of points, is presented. This algorithm, referred to as iterative label spreading, can recognize the characteristics expected of a successful clustering result before any clustering algorithm is applied, providing a type of hyper‐parameter optimization for clustering. The efficacy of the algorithm, and the assessment of clustering result, are both confirmed using large benchmark two dimensional synthetic data sets, and small multidimensional data describing a set of silver nanoparticles. It is shown that the method is ideal for studying noisy data with high dimensionality and high variance, typical of data captured in materials and nanoscience.
Directed evolution methods for overcoming trade‐offs between protein activity and stability
Authors: Stimple Samuel D. , Smith Matthew D. , Tessier Peter M.
Published: October 2019

Engineered proteins are being widely developed and employed in applications ranging from enzyme catalysts to therapeutic antibodies. Directed evolution, an iterative experimental process composed of mutagenesis and library screening, is a powerful technique for enhancing existing protein activities and generating entirely new ones not observed in nature. However, the process of accumulating mutations for enhanced protein activity requires chemical and structural changes that are often destabilizing, and low protein stability is a significant barrier to achieving large enhancements in activity during multiple rounds of directed evolution. Here we highlight advances in understanding the origins of protein activity/stability trade‐offs for two important classes of proteins (enzymes and antibodies) as well as innovative experimental and computational methods for overcoming such trade‐offs. These advances hold great potential for improving the generation of highly active and stable proteins that are needed to address key challenges related to human health, energy and the environment.
Composite double network hydrogels with thermoresponsive colloidal nanoemulsions
Authors: Kass Lauren , Cardenas‐Vasquez Ernesto Daniel , Hsiao Lilian C.
Published: October 2019

We report the formulation and mechanical characterization of double network (DN) composite hydrogels. The first network consists of covalently crosslinked poly(ethylene glycol diacrylate) (PEGDA), which forms a strong, brittle network that provides elasticity to the gel. The second network, sodium alginate, is ionically crosslinked with Ca2+ to allow increased dissipation of mechanical energy. The novelty of this system over existing DN hydrogels is the additional incorporation of a third mesoscale network, composed of thermoresponsive poly(dimethyl siloxane) (PDMS) nanoemulsions, which undergo colloidal gelation through the bridging of the PEGDA hydrophobic end groups into the PDMS droplets. The colloidally gelled microstructures are photopolymerized into a solid hydrogel by crosslinking the precursors with ultraviolet (UV) light. Tensile mechanical experiments performed on the crosslinked DN nanoemulsion hydrogels show that their rupture stress (0.17–0.34 MPa), fracture energy (144–421 J/m2), and Young's modulus (1–2.1 MPa) are comparable to similar systems in the literature. These mechanical measurements suggest that the gels may be suitable for manufacturing processes in which large shear rates and deformations are encountered.
Quantitative analysis of CO2 hydrate formation in porous media by proton NMR
Authors: Zheng Jia‐nan , Yang Lei , Ma Shihui , Zhao Yuechao , Yang Mingjun
Published: October 2019

Gas hydrate is a nonstoichiometric crystal compound formed from water and gas. Most nonvisual studies on gas hydrate are unable to detect how much water is converted to hydrates, and thus, the hydrate stoichiometry calculations are inaccurate. This study investigated the CO2 hydrate formation process in porous media directly and quantitatively. The characteristics of the time‐variable consumption of hydrate formation indicated a two‐stage formation, hydrate enclathration and continuous occupancy. The enclathration stage occurred in the first 20 min of the formation when considerable heat is released. The continuous occupancy stage lasted longer than the hydrate enclathration because the empty cages in previously formed hydrates would also be occupied. The higher formation pressures can accelerate water consumption and increase cage occupancy. The compositions of completely formed CO2 hydrates at 2.7, 3.0, and 3.3 MPa and 275.15 K were determined as CO2·6.90H2O, CO2·6.70H2O, and CO2·6.49H2O, respectively.
Philadelphia chromosome‐positive acute lymphoblastic leukemia at first relapse in the era of tyrosine kinase inhibitors
Authors: Abou Dalle Iman , Kantarjian Hagop M. , Short Nicholas J. , Konopleva Marina , Jain Nitin , Garcia‐Manero Guillermo , Garris Rebecca , Qiao Wei , Cortes Jorge E. , O'Brien Susan , Kebriaei Partow , Kadia Tapan , Jabbour Elias , Ravandi Farhad
Published: October 2019

Despite the advances in the management of Philadelphia chromosome‐positive (Ph+) acute lymphoblastic leukemia (ALL) with the introduction of tyrosine kinase inhibitors (TKIs), relapses remain challenging. We reviewed clinical data from adult patients with Ph + ALL who received frontline hyperCVAD chemotherapy with a TKI to determine their outcomes after first relapse. Patients with first morphological relapse after prior complete remission were evaluated for predictors of response and survival. For 57 of 233 (25%) patients, there was morphological relapse after a median of 15.9 months from first remission [range: 5.3‐94]. The choice of salvage treatments was at the discretion of the treating physician. So, 43 (75%) patients received a TKI in combination with their salvage treatment. Second remission was achieved in 41 of 49 (84%) evaluable patients. Median relapse free survival (RFS) was 10.5 months [range, 0.2‐81]. The 1‐year and 2‐year overall survival (OS) were 41% and 20% respectively. On multivariate analysis, only elevated LDH (units/L), the use of first‐generation or no TKI at the time of first relapse and the achievement of a major molecular response (MMR) had a significant effect on OS (HR: 2.82, 95% CI:1.11‐7.16, P = .029; HR = 2.39, 95% CI: 1.07,5.39, P = .034; HR = 0.39, 95% CI: 0.16‐0.94, P = .03, respectively). Whereas, only achievement of MMR was significantly prognostic for RFS with a HR of 0.48 (95% CI: 0.23‐0.98, P = .04). The OS and RFS were comparable between recipients and non‐recipients of allogeneic hematopoietic stem cell transplantation (alloHSCT) at second remission, due to a higher non‐relapse mortality (53%) seen in patients who underwent alloHSCT.
Freshwater ecosystem vulnerability: Is native climatic niche good enough to predict invasion events?
Authors: Frederico Renata G. , Salvador Gilberto N. , Andrade André , Rosa Gustavo R. , Torquato Gabriel V.
Published: October 2019

The introduction of invasive species is a significant threat to freshwater ecosystems and is changing the biogeographic patterns of fish species, leading to homogenization of fish fauna. The ability to predict potential invasions is critical in conservation biology to avoid further biodiversity loss.

Ecological niche modelling has become an important tool in biological invasion studies. However, some introduced species can spread to habitats that are different from those in their native range.

A framework based on niche shifts and ecological niche models was used to show that Pterygoplichthys ambrosettii, an armoured catfish, commonly known as ‘pleco', and native to the middle‐lower Paraná river, has expanded its niche by 27% and is now occupying a new range of environmental conditions.

This species has experienced a niche shift from its original habitat and has started to occupy new areas of the Upper Paraná river basin and the São Francisco basin in Brazil. Models built using both native and non‐native areas were not able to predict the invaded habitats, and in either the native or non‐native areas the cross‐validation procedures corroborate the niche expansion hypothesis.
Klebsiella pneumoniae Redistributes Katanin Severing Proteins and Alters Astral Microtubules during Mitosis
Authors: Chua Michael D. , Bogdan Alexander C. , Guttman Julian A.
Published: October 2019

Klebsiella pneumoniae has become a growing concern within hospitals due to multidrug resistant strains and increasing mortality rates. Recently, we showed that at the subcellular level, K. pneumoniae compromises the integrity of the epithelia by disassembling the microtubule networks of cells through the actions of katanin microtubule severing proteins. In this study, we report on the observation that mitotic cells are targeted by K. pneumoniae and that during infections, the katanin proteins are excluded from the microtubule organizing centers of dividing cells, resulting in the alteration of the microtubule cytoskeleton. Anat Rec, 2019. © 2019 American Association for Anatomy Anat Rec, 303:1859–1864, 2020. © 2019 American Association for Anatomy
Benzoxazole/benzothiazole‐derived VEGFR‐2 inhibitors: Design, synthesis, molecular docking, and anticancer evaluations
Authors: El‐Helby Abdel‐Ghany A. , Sakr Helmy , Eissa Ibrahim H. , Al‐Karmalawy Ahmed A. , El‐Adl Khaled
Published: October 2019

A novel series of benzoxazole/benzothiazole derivatives 4a–c–11a–e were designed, synthesized, and evaluated for anticancer activity against HepG2, HCT‐116, and MCF‐7 cells. HCT‐116 was the most sensitive cell line to the influence of the new derivatives. In particular, compound 4c was found to be the most potent derivative against HepG2, HCT‐116, and MCF‐7 cells, with IC50 values = 9.45 ± 0.8, 5.76 ± 0.4, and 7.36 ± 0.5 µM, respectively. Compounds 4b, 9f, and 9c showed the highest anticancer activities against HepG2 cells with IC50 values of 9.97 ± 0.8, 9.99 ± 0.8, and 11.02 ± 1.0 µM, respectively, HCT‐116 cells with IC50 values of 6.99 ± 0.5, 7.44 ± 0.4, and 8.15 ± 0.8 µM, respectively, and MCF‐7 cells with IC50 values of 7.89 ± 0.7, 8.24 ± 0.7, and 9.32 ± 0.7 µM, respectively, in comparison with sorafenib as reference drug with IC50 values of 9.18 ± 0.6, 5.47 ± 0.3, and 7.26 ± 0.3 µM, respectively. The most active compounds 4a–c, 9b,c,e,f,h, and 11c,e were further evaluated for their VEGFR‐2 inhibition. Compounds 4c and 4b potently inhibited VEGFR‐2 at IC50 values of 0.12 ± 0.01 and 0.13 ± 0.02 µM, respectively, which are nearly equipotent to the sorafenib IC50 value (0.10 ± 0.02 µM). Furthermore, molecular docking studies were performed for all synthesized compounds to assess their binding pattern and affinity toward the VEGFR‐2 active site.
Measuring Ultrafast Spectral Diffusion and Correlation Dynamics by Two‐Dimensional Electronic Spectroscopy
Authors: Do Thanh Nhut , Khyasudeen M. Faisal , Nowakowski Paweł J. , Zhang Zhengyang , Tan Howe‐Siang
Published: October 2019

The frequency fluctuation correlation function (FFCF) measures the spectral diffusion of a state's transition while the frequency fluctuation cross‐correlation function (FXCF) measures the correlation dynamics between the transitions of two separate states. These quantities contain a wealth of information on how the chromophores or excitonic states interact and couple with its environment and with each other. We summarize the experimental implementations and theoretical considerations of using two‐dimensional electronic spectroscopy to characterize FFCFs and FXCFs. Applications can be found in systems such as the chlorophyll pigment molecules in light‐harvesting complexes and CdSe nanomaterials.
Synthesis of Low‐Viscosity Ionic Liquids for Application in Dye‐Sensitized Solar Cells
Authors: Fang Yanyan , Ma Pin , Cheng Hongbo , Tan Guoyu , Wu Jiaxin , Zheng Jiaxin , Zhou Xiaowen , Fang Shibi , Dai Yuhua , Lin Yuan
Published: October 2019

Two types of ionic liquids (ILs), 1‐(3‐hexenyl)‐3‐methyl imidazolium iodide and 1‐(3‐butenyl)‐3‐methyl imidazolium iodide, are synthesized by introducing an unsaturated bond into the side alkyl chain of the imidazolium cation. These new ionic liquids exhibit high thermal stability and low viscosity (104 cP and 80 cP, respectively). The molecular dynamics simulation shows that the double bond introduced in the alkane chain greatly changes the molecular system space arrangement and diminishes the packing efficiency, leading to low viscosity. The low viscosity of the synthesized ionic liquids would enhance the diffusion of redox couples. This enhancement is detected by fabricating dye‐sensitized solar cells (DSSCs) with electrolytes containing the two ILs and I2. The highest efficiency of DSSCs is 6.85 % for 1‐(3‐hexenyl)‐3‐methyl imidazolium iodide and 5.93 % for 1‐(3‐butenyl)‐3‐methyl imidazolium iodide electrolyte, which is much higher than that of 5.17 % with the counterpart 1‐hexyl‐3‐methyl imidazolium iodide electrolyte.
Facile Synthesis of PdCu Echinus‐Like Nanocrystals as Robust Electrocatalysts for Methanol Oxidation Reaction
Authors: Zhang Zhicheng , Ren Guohong , Liu Yajun , Liang Ying , Wang Mingqian , Wu Shishan , Shen Jian
Published: October 2019

Exploiting high‐performance and inexpensive electrocatalysts for methanol electro‐oxidation is conductive to promoting the commercial application of direct methanol fuel cells. Here, we present a facile synthesis of echinus‐like PdCu nanocrystals (NCs) via a one‐step and template‐free method. The echinus‐like PdCu NCs possess numerous straight and long branches which can provide abundant catalytic active sites. Owing to the novel nanoarchitecture and electronic effect of the PdCu alloy, the echinus‐like PdCu NCs display high electrocatalytic performance toward methanol oxidation reaction in an alkaline medium. The mass activity of echinus‐like PdCu NCs is 1202.1 mA mgPd−1, which is 3.7 times that of Pd/C catalysts. In addition, the echinus‐like structure, as a kind of three‐dimensional self‐supported nanoarchitecture, endows PdCu NCs with significantly enhanced stability and durability. Hence, the echinus‐like PdCu NCs hold prospect of being employed as electrocatalysts for direct alcohol fuel cells.
Finite Horizon Maximum Likelihood Estimation for Integrated Navigation with RF Beacon Measurements
Authors: Shankar Sharad , Ezal Kenan , Hespanha João P.
Published: October 2019

We develop a Finite Horizon Maximum Likelihood Estimator (FHMLE) that fuses Inertial Measurement Unit (IMU) and radio frequency (RF) measurements over a sliding window of finite length for three‐dimensional navigation. Available RF data includes pseudo–ranges, angles of transmission (AoT), and Doppler shift measurements. The navigation estimates are obtained by solving a finite‐dimensional nonlinear optimization using a primal‐dual interior point algorithm (PDIP). The benefits of the proposed estimation method are highlighted using simulations results comparing the FHMLE approach with an Unscented Kalman Filter (UKF), in a scenario where an aircraft approaches a carrier, with RF measurements from beacons aboard the carrier, and low‐cost IMU measurements aboard the aircraft. When the Geometric Dilution of Precision is large, we found that the FHMLE is able to achieve smaller estimation errors than the UKF, which tends to carry a bias throughout the trajectory.
Multivariable integral linear quadratic Gaussian robust control of islanded microgrid to mitigate voltage oscillation for improving transient response
Authors: Sarker Subrata K. , Badal Faisal R. , Das Purnima , Das Sajal K.
Published: October 2019

A novel robust integral linear quadratic Gaussian (ILQG) controller is presented in this paper to control the voltage of islanded microgrid and improves its transient response. Microgrid is a small grid that consists of number of distributed generator units, power‐electronic components with inductor‐capacitor (LC) filters and loads. The loads are parametrically uncertain and unknown that produces the voltage or power oscillation. The ILQG controller is capable to compensate for the voltage oscillation and exhibits the tracking of grid voltage against the different load dynamics. The design of ILQG controller is carried out by augmenting the plant dynamics with an integrator. The robustness of the ILQG controller is studied by considering a number of uncertainties within the plant model. The performance of ILQG controller is compared with linear quadratic regulator (LQR) and linear quadratic Gaussian (LQG) controller in terms of rise time, settling time, bandwidth and tracking error. The comparison results ensure the high bandwidth and tracking performance of ILQG controller as compared to other controllers.
Socioeconomic disparities in timeliness of care and outcomes for anal cancer patients
Authors: Ahmad Tessnim R. , Susko Matthew , Lindquist Karla , Anwar Mekhail
Published: October 2019

Background

Socioeconomic status (SES) is associated with diagnostic and treatment delays and survival in multiple cancers, but less data exist for anal squamous cell carcinoma (ASCC). This study investigated the association between SES and outcomes for patients undergoing definitive chemoradiation therapy for ASCC.

Methods

One hundred and eleven patients diagnosed with nonmetastatic ASCC between 2005 and 2018 were retrospectively reviewed. Socioeconomic predictor variables included primary payer, race, income, employment, and partnership status. Outcomes included the tumor‐node (TN) stage at diagnosis, the duration from diagnosis to treatment initiation, relapse‐free survival (RFS), and overall survival (OS). Age, gender, TN stage, and HIV status were analyzed as covariates in survival analysis.

Results

SES was not associated with the TN stage at diagnosis. SES factors associated with treatment initiation delays were Medicaid payer (P = .016) and single partnership status (P = .016). Compared to privately insured patients, Medicaid patients had lower 2‐year RFS (64.4% vs 93.8%, P = .021) and OS (82.9% vs 93.5%, P = .038). Similarly, relative to patients in the racial majority, racial minority patients had lower 2‐year RFS (53.3% vs 93.5%, P = .001) and OS (73.7% vs 92.6%, P = .008). Race was an independent predictor for both RFS (P = .027) and OS (P = .047).

Conclusions

These results highlight the impact of social contextual factors on health. Interventions targeted at socioeconomically vulnerable populations are needed to reduce disparities in ASCC outcomes.
Small‐Molecule Stimulators of NRF1 Transcriptional Activity
Authors: Iaconelli Jonathan , Ibrahim Lara , Chen Emily , Hull Mitchell , Schultz Peter G. , Bollong Michael J.
Published: October 2019

The transcription factor nuclear factor erythroid 2‐related factor 1 (NRF1) maintains proteostasis and promotes cellular resilience by stimulating the transcription of proteasomal subunits and a host of protective enzymes. Although NRF1 activation would likely be beneficial in a number of disease states, information regarding its ligandability and upstream regulation are lacking. Herein we report a high‐throughput chemical screen that identified selective stimulators of NRF1‐driven transcription, including unannotated inhibitors of the ubiquitin proteasome system (UPS) as well as two non‐UPS‐targeted compounds that synergistically activate NRF1 in the context of submaximal UPS inhibition. This work introduces a suite of tool molecules to study the NRF1 transcriptional response and to uncover the druggable components governing NRF1 activity in cells.
Conventional vascular access site approach versus fully trans‐wrist approach for chronic total occlusion percutaneous coronary intervention: a multicenter registry
Authors: Poletti Enrico , Azzalini Lorenzo , Ayoub Mohamed , Ojeda Soledad , Zivelonghi Carlo , La Manna Alessio , Bellini Barbara , Lostalo Adrián , Luque Aurora , Venuti Giuseppe , Montorfano Matteo , Agostoni Pierfrancesco , Pan Manuel , Carlino Mauro , Mashayekhi Kambis
Published: October 2019

Objectives

To evaluate the incidence of vascular complication and major bleeding in patients undergoing chronic total occlusion (CTO) percutaneous coronary intervention (PCI) with a fully trans‐wrist access (TWA) approach versus a conventional approach based on trans‐femoral access (TFA).

Background

TFA is the preferred vascular access in CTO PCI, but it has been associated with a non‐negligible risk of complications.

Methods

This retrospective registry included all patients undergoing CTO PCI at five institutions between July 2011 and October 2018. Patients were divided into two groups: Conventional (patients treated with at least one TFA) and Fully TWA (subjects exclusively treated with one or two TWA). The primary safety endpoint was a composite of vascular complications and major bleeding. The primary efficacy endpoint was procedural success.

Results

We included 1,900 patients (Conventional n = 1,496 and Fully TWA n = 404). Conventional patients showed higher occlusion complexity (J‐CTO score 2.1 ± 1.2 vs. 1.5 ± 1.1, p < .001). Procedural success showed no significant difference between both groups (85.7 vs. 83.0%, p = .17). The primary safety endpoint occurred more frequently in the Conventional group (10.3 vs. 4.5%, p < .001), driven by vascular complications (9.4 vs. 3.7%, p < .001). On multivariate analysis, not using a Fully TWA approach was an independent predictor of the study endpoint, after adjusting for age, sex, diabetes, body mass index, chronic kidney disease, prior coronary artery bypass graft, and J‐CTO score.

Conclusions

Embracing a Fully TWA approach for CTO PCI might be associated with lower incidence of a composite endpoint of vascular complications and major bleeding, compared with a Conventional approach.
Targeted Fe‐Doping of Ni−Al Catalysts via the Surface Redox Reaction Technique for Unravelling its Promoter Effect in the CO2 Methanation Reaction
Authors: Burger Thomas , Augenstein Hannah M. S. , Hnyk Franziska , Döblinger Markus , Köhler Klaus , Hinrichsen Olaf
Published: October 2019

In promoted catalyst systems, the location of dopants is of very high interest to investigate promoter effects. A Ni/Al2O3 catalyst (wNi=11 wt. %) prepared by deposition‐precipitation and a co‐precipitated NiAlOx (nNi/nAl=1) catalyst are modified with Fe by means of the surface redox reaction technique and tested for activity under differential and integral conditions and for thermal stability (aging at 500 °C, 8 bar, 32 h) in the methanation reaction of CO2. By applying detailed material characterization studies comprising H2 and CO2 chemisorption, ICP‐OES, XRD, STEM‐EDX, FMR and BET, it is shown that the surface deposition techniques can be used to selectively deposit Fe in the vicinity of Ni nanoparticles. Doping with Fe leads to an increase of the catalytic activity, attributed to electronic effects through the formation of surface Ni−Fe alloys, and, for the co‐precipitated Ni−Al catalyst, to an enhancement of the apparent thermal stability at higher Fe loadings, which is assumed to be caused by a dynamic variation of Ni, Fe, and Al interactions depending on the reaction conditions.
Sky‐Blue Triplet Emitters with Cyclometalated Imidazopyrazine‐Based NHC‐Ligands and Aromatic Bulky Acetylacetonates
Authors: Pinter Piermaria , Soellner Johannes , Strassner Thomas
Published: October 2019

Platinum(II) complexes with an N‐heterocyclic carbene and a cyclometalating phenyl ligand (C^C*) are excellent candidates as efficient blue triplet emitters for OLED applications. The electronic and photophysical properties of these complexes can be fine‐tuned with the objective to increase the quantum yields and lower the phosphorescence decay times. We found that platinum complexes with an imidazopyrazine C^C* ligand and bulky acetylacetonates are sky‐blue triplet emitters, characterised by an almost unitary quantum yield and short phosphorescence decay times.
Covalent Organic Frameworks: A Sustainable Photocatalyst toward Visible‐Light‐Accelerated C3 Arylation and Alkylation of Quinoxalin‐2(1H)‐ones
Authors: Tian Miao , Liu Shuyang , Bu Xiubin , Yu Jipan , Yang Xiaobo
Published: October 2019

A practical and scalable protocol for visible‐light‐accelerated arylation and alkylation of quinoxalin‐2(1H)‐ones with hydrazines is reported. In this protocol, a hydrazone‐based two‐dimensional covalent organic frameworks (2D‐COF‐1) was employed as the heterogeneous photocatalyst (PC). Due to its excellent photocatalytic properties, good chemical stability and heterogeneous nature, the present method exhibits high efficiency, good functional group tolerance, easy scalability and remarkable catalyst reusability. More importantly, it provides an alternative way that allows rapid access to various C3 arylated or alkylated quinoxalin‐2(1H)‐ones in a greener and sustainable manner.
Histidinium‐Driven Chirality Control of Self‐Assembled Hybrid Molybdenum Oxyfluorides
Authors: Jo Hongil , Ok Kang Min
Published: October 2019

Exploring macroscopic chiral materials with extended structures has become an important and fundamental topic in chemistry. To systematically control the chirality of novel organic–inorganic frameworks, histidinium‐based cationic structure‐directing agents containing specific chiral information are introduced. In this way, two chiral compounds, [(l‐hisH2)MoO2F4]3⋅H2O (L) and [(d‐hisH2)MoO2F4]3⋅H2O (D), and an achiral oxyfluoride, (l/d‐hisH2)MoO2F4 (LD) (his=histidine, C6H9N3O2) have been successfully self‐assembled by a slow evaporation method. The structures of these compounds are composed of histidinium cations and distorted [MoO2F4]2− octahedra. Surprisingly, the histidinium cations not only control macroscopic chirality, but also induce O/F ordering in MoO2F4 octahedra through hydrogen‐bonding interactions. Compounds L and D crystallize in the extremely rare polar space group P1, and exhibit positive second harmonic generation (SHG) signals attributable to a net moment originating from the MoO2F4 groups. Solid‐state circular dichroism (CD) spectra indicate that the MoO2F4 units templated by histidinium cations are chirally aligned through ionic interactions. Crystallization processes influenced by the chirality of the reported materials are also discussed herein.
α‐Unsaturated 3‐Amino‐1‐carboxymethyl‐β‐lactams as Bacterial PBP Inhibitors: Synthesis and Biochemical Assessment
Authors: Decuyper Lena , Magdalenić Katarina , Verstraete Marie , Jukič Marko , Sosič Izidor , Sauvage Eric , Amoroso Ana Maria , Verlaine Olivier , Joris Bernard , Gobec Stanislav , D'hooghe Matthias
Published: October 2019

Innovative monocyclic β‐lactam entities create opportunities in the battle against resistant bacteria because of their PBP acylation potential, intrinsically high β‐lactamase stability and compact scaffold. α‐Benzylidene‐substituted 3‐amino‐1‐carboxymethyl‐β‐lactams were recently shown to be potent PBP inhibitors and constitute eligible anchor points for synthetic elaboration of the chemical space around the central β‐lactam ring. The present study discloses a 12‐step synthesis of ten α‐arylmethylidenecarboxylates using a microwave‐assisted Wittig olefination as the crucial reaction step. The library was designed aiming at enhanced β‐lactam electrophilicity and extended electron flow after enzymatic attack. Additionally, increased β‐lactamase stability and intermolecular target interaction were envisioned by tackling both the substitution pattern of the aromatic ring and the β‐lactam C4‐position. The significance of α‐unsaturation was validated and the R39/PBP3 inhibitory potency shown to be augmented the most through decoration of the aromatic ring with electron‐withdrawing groups. Furthermore, ring cleavage by representative β‐lactamases was ruled out, providing new insights in the SAR landscape of monocyclic β‐lactams as eligible PBP or β‐lactamase inhibitors.