bluuebunny/crossref_metadata_2025_split huggingface dataset:
Construction of Oxepino[3,2‐b]indoles via [4+3] Annulation of 2‐Ylideneoxindoles with Crotonate‐Derived Sulfur Ylides
Authors: Fei Xing‐Hai , Zhao Yong‐Long , Yang Fen‐Fen , Guan Xiang , Li Zong‐Qin , Wang Da‐Peng , Zhou Meng , Yang Yuan‐Yong , He Bin 
Published: May 2021

AbstractA [4+3] annulation of 2‐ylideneoxindoles with crotonate‐derived sulfur ylides has been developed. A series of oxepino[3,2‐b]indoles were prepared in moderate to excellent yields (62‐93%) under mild conditions. Moreover, the synthetic oxepino[3,2‐b] indoles can be further transformed into more complex cyclopropa[5,6]oxepino[3,2‐b]indoles via a [2+1] cyclopropanation. In addition, the synthetic compounds show certain antiproliferative activity against K562 and MCF‐7 cells, and its IC50 values for these two kinds of tumor cells up to 5.40±0.88 μM and 18.41±0.50 μM, respectively.magnified image
Molecular Structure Effects on the Aggregation Motif of Porphyrins: Computational Insights
Authors: Politi Antiope T. , Politis Achilleas , Seton Linda 
Published: May 2021

AbstractThe latest advancements in semiempirical Hamiltonians have inspired new confidence for the supramolecular computational predictivity. The advanced accuracy of newly developed semiempirical methods is offered for computations of what can provide a valuable database of molecular tuning recommendations for the synthesis of new supramolecular materials. In this work the very versatile and impactful porphyrin is employed for examination of the first basic chemical tuning factors that may drive specific aggregation motifs. The 1D motifs are examined as a function of peripheral substituent steric bulk. Subsequently, a 1D‐wire versus a 3D‐square motif is investigated as a function of the metal–ligand effect. For the first time, an interesting effect of misprediction of semiempirical computations is encountered for a small class of these aggregates and is briefly examined with a conformational search analysis. These findings encourage further in silico work which is greatly required for diminishing the current discovery bottleneck in supramolecular chemistry.
Ultrahigh‐Uptake Capacity‐Enabled Gas Separation and Fruit Preservation by a New Single‐Walled Nickel–Organic Framework
Authors: Li Yong‐Peng , Zhao Yong‐Ni , Li Shu‐Ni , Yuan Da‐Qiang , Jiang Yu‐Cheng , Bu Xianhui , Hu Man‐Cheng , Zhai Quan‐Guo 
Published: May 2021

AbstractHigh gas‐uptake capacity is desirable for many reasons such as gas storage and sequestration. Moreover, ultrahigh capacity can enable a practical separation process by mitigating the selectivity factor that sometimes compromises separation efficiency. Herein, a single‐walled nickel–organic framework with an exceptionally high gas capture capability is reported. For example, C2H4 and C2H6 uptake capacities are at record‐setting levels of 224 and 289 cm3 g−1 at 273 K and 1 bar (169 and 110 cm3 g−1 at 298 K and 1 bar), respectively. Such ultrahigh capacities for both gases give rise to an excellent separation performance, as shown for C2H6/C2H4 with breakthrough times of 100, 60 and 30 min at 273, 283 and 298 K and under 1 atm. This new material is also shown to readily remove ethylene released from fruits, and once again, its ultrahigh capacity plays a key role in the extraordinary length of time achieved in the preservation of the fruit freshness.
Physiology‐Based Stretchable Electronics Design Method for Accurate Surface Electromyography Evaluation
Authors: Wang Shengming , Dong Shurong , Li Wenjuan , Cen Jin , Zhu Huimin , Fu Congyi , Jin Hao , Li Yucong , Feng Xue , Luo Jikui , Xie Zhenwei 
Published: May 2021

AbstractStretchable electronics‐based surface electromyography (sEMG) evaluation devices are expected to play a big role in clinical diagnosis. However, the stability and quality of the signals collected by existing stretchable electronics are too poor, especially when muscle movement is involved, making them inappropriate for high standard clinical diagnosis. Here, a physiology‐based design method for stretchable electronics and a novel airbag‐type stretchable electrode array (ASEA) device for assessment of the complex female pelvic floor muscle (PFM) is proposed. Clinical trials show that the ASEA device is able to provide stable contact interface and multi‐channel accurate data acquisition. The stability and quality of the sEMG signal are much better than those obtained by the existing stretchable electronics‐based PFM electrode devices. Furthermore, a muscle‐unit evaluation method (MUEM) to assess the PFM complex state is proposed, especially its cross‐interaction between muscles. Clinical trials show that MUEM can accurately and comprehensively assess PFM state and the correlations between main muscles, which unveils the mechanisms of some special muscle states that are not possible using traditional methods. This proof of concept research holds the promise for the development of new diagnostic strategies for muscle pathological research, and has the potential for clinical application and general implication.
Convolutional neural nets in chemical engineering: Foundations, computations, and applications
Authors: Jiang Shengli , Zavala Victor M. 
Published: May 2021

AbstractIn this article, we review the mathematical foundations of convolutional neural nets (CNNs) with the goals of: (i) highlighting connections with techniques from statistics, signal processing, linear algebra, differential equations, and optimization, (ii) demystifying underlying computations, and (iii) identifying new types of applications. CNNs are powerful machine learning models that highlight features from grid data to make predictions (regression and classification). The grid data object can be represented as vectors (in 1D), matrices (in 2D), or tensors (in 3D or higher dimensions) and can incorporate multiple channels (thus providing high flexibility in the input data representation). CNNs highlight features from the grid data by performing convolution operations with different types of operators. The operators highlight different types of features (e.g., patterns, gradients, geometrical features) and are learned by using optimization techniques. In other words, CNNs seek to identify optimal operators that best map the input data to the output data. A common misconception is that CNNs are only capable of processing image or video data but their application scope is much wider; specifically, datasets encountered in diverse applications can be expressed as grid data. Here, we show how to apply CNNs to new types of applications such as optimal control, flow cytometry, multivariate process monitoring, and molecular simulations.
Morphological analysis of new Dryas Monkey specimens from the Central Congo Basin: Taxonomic considerations and an emended diagnosis
Authors: Gilbert Christopher C. , Gilissen Emmanuel , Arenson Julia L. , Patel Biren A. , Nakatsukasa Masato , Hart Terese B. , Hart John A. , Detwiler Kate M. , Sargis Eric J. 
Published: May 2021

AbstractObjectivesThe little known guenon Cercopithecus dryas has a controversial taxonomic history with some recognizing two taxa (C. dryas and C. salongo) instead of one. New adult specimens from the TL2 region of the central Congo Basin allow further assessment of C. dryas morphology and, along with CT scans of the juvenile holotype, provide ontogenetically stable comparisons across all C. dryas and “C. salongo” specimens for the first time.Materials and MethodsThe skins and skulls of two newly acquired C. dryas specimens, male YPM MAM 16890 and female YPM MAM 17066, were compared to previously described C. dryas and “C. salongo” specimens, along with a broader guenon comparative sample (cranial sample n = 146, dental sample n = 102). Qualitative and quantitative assessments were made on the basis of commonly noted pelage features as well as craniodental characters in the form of shape ratios and multivariate discriminant analyses.ResultsAll C. dryas specimens, including the TL2 adults, are comparatively small in overall cranial size, have relatively small I1s, and display tall molar cusps; these osteological characters, along with pelage features, are shared with known “C. salongo” specimens. Discriminant analyses of dental features separate C. dryas/salongo specimens from all other guenons.DiscussionIn addition to pelage‐based evidence, direct osteological evidence suggests “C. salongo” is a junior synonym of C. dryas. Combined with molecular analyses suggesting C. dryas is most closely related to Chlorocebus spp., we emend the species diagnosis and support its transfer to Chlorocebus or possibly a new genus to reflect its distinctiveness.
Footloose: Articular surface morphology and joint movement potential in the ankles of lorisids and cheirogaleids
Authors: Yapuncich Gabriel S. , Granatosky Michael C. 
Published: May 2021

AbstractObjectivesThe competing functional demands of diarthrodial joints, permitting mobility while retaining enough stability to transmit forces across the joint, have been linked with the shape and size of the joint's articular surfaces. A clear understanding of the relationship between joint morphology and joint movement potential is important for reconstructing locomotor behaviors in fossil taxa.MethodsIn a sample of matched tali and calcanei of lorisids (n = 28) and cheirogaleids (n = 38), we quantify the surface areas of the talar and calcaneal ectal (=posterior talocalcaneal) articular surfaces and model the principal curvatures of these surfaces with quadric formulas. These two taxonomic groups have similar body masses, but differ substantially in positional behavior, so that differences in joint surface morphology should reflect adaptive demands of their locomotor behavior.ResultsCompared with cheirogaleids, lorisids exhibit: (a) a significantly greater area difference between their paired joint surfaces; and (b) a more pronounced saddle shape for the talar ectal facet.ConclusionThe increased subtalar joint mobility observed in lorisids may be achieved by increasing the amount of sliding and rolling that can occur at the subtalar joint. The subtalar joint morphology observed in two fossil euarchontans, the plesiadapiforms Purgatorius sp. and Plesiadapis cookei, compares favorably with the morphology observed among lorisids, potentially suggesting antipronograde postures within these extinct taxa.
Production of biodegradable rods of polycaprolactone/olanzapine for potential application in treatment of Schizophrenia
Authors: de Almeida Hellen Regina Oliveira , de Carvalho Patricio Beatriz Ferreira , do Anjos Garcia Yasmin , da Silva Talita Goulart , Pereira Debora Baptista , Sarcinelli Michelle Alvares , Rocha Helvécio Vinícius Antunes , Mendonça Roberta Helena 
Published: May 2021

AbstractOlanzapine (OLZ) is a commonly antipsychotic used to treat schizophrenia, a mental illness, with fewer side effects when compared with other drugs of the same class. It is commercialized mainly as oral tablets and orally disintegrating tablets. However, this drug oral bioavailability is affected by the first pass effect and low solubility in water. This requires high daily doses that can cause more side effects and poor treatment compliance. Also, the frequency of frequency of tablet intake is commonly related to patients' abandonment of schizophrenia treatment. So, the development of implantable biomaterials for OLZ delivery can be an alternative to solve both problems, since this material can, potentially, be used subcutaneously in less frequent administrations, thus the treatment has a greater chance of success. Therefore, the objective of this work was to produce polycaprolactone (PCL) rods incorporated with OLZ by hot‐melt extrusion technique. The rods were characterized by different techniques, which showed an amount of 6.78 ± 0.56 mg of OLZ per rod. The in vitro release studies were performed and they showed a controlled release of the drug that followed the Higuchi's model. These results indicated that the PCL/OLZ rods have potential application in the schizophrenia treatment.
Rapid response of fish and aquatic habitat to removal of a tidal barrier
Authors: Sun Jingrui , Galib Shams M. , Lucas Martyn C. 
Published: May 2021

Abstract

River barrier removal is used increasingly as a conservation tool to restore lotic habitat and river connectivity, but evidence of its efficacy is incomplete. This study used a before–after methodology to determine the effects of removing a tidal‐limit barrier on the fishes, macroinvertebrates, and habitats of an English coastal stream.
Following barrier removal, habitat diversity increased immediately upstream and remained similar downstream. Mobilized silt altered the substrate composition immediately downstream, but this was temporary as silt was flushed out the following winter. Changes to macroinvertebrate communities occurred upstream and downstream of the former barrier but these were transient.
A dramatic and sustained increase in fish density occurred immediately upstream of the barrier after its removal, but effects downstream were minor. The fish community upstream changed, largely due to rapid recruitment and dispersal of endangered European eel (Anguilla anguilla). Eel density in the formerly impounded zone increased from 0.5 per 100 m2 before barrier removal to 32.5 per 100 m2 5 months after removal. By 17 months after barrier removal there was no difference in eel density across the six sections sampled.
Although resident stream fishes such as bullhead (Cottus gobio species complex, protected under the European Habitats Directive) were abundant in middle and upper‐stream sections, brown trout (Salmo trutta, a listed species for biodiversity conservation in England and Wales) density remained low during the study and recruitment was poor. This suggests that although colonization access for anadromous trout was available, habitat upstream may have been unsuitable for reproduction, indicating that wider catchment management is required to complement the restoration of connectivity.
These findings suggest that tidal barrier removal is an effective method of restoring lotic habitats and connectivity, and can be beneficial for resident and migratory fishes including those of conservation importance (e.g. European eel) in coastal streams.
Highly Diastereoselective Hydrosilane‐Assisted Rhodium‐Catalyzed Spiro‐Type Cycloisomerization of Succinimide and Pyrazolone‐Based Functional 1,6‐Dienes
Authors: Li Hui‐Lin , Huang Wei‐Sheng , Ling Fang‐Ying , Li Li , Yan Jun‐Hao , Xu Hao , Xu Li‐Wen 
Published: May 2021

AbstractOrganosilicon compounds are important reagents and synthetic intermediates that play a key role in the construction of new materials and complex products. Here we show a highly diastereoselective rhodium‐catalyzed cycloisomerization of 1,6‐dienes, in which the use of (EtO)3SiH accelerates the intramolecular cyclization reaction to afford a novel spiro‐fused succinimide and pyrazolone derivatives in moderate to excellent yields as a single diastereoisomer. The proposed mechanism involves an active Rh−H species from the hydrosilane that is the H‐donor in this spiro‐type cycloisomerization reaction.
A segmented energy‐based nonlinear tracking control method for quadrotor transport system
Authors: Qi Juntong , Ping Yuan , Wang Mingming , Wu Chong 
Published: May 2021

AbstractThe safety of the quadrotor transport system (QTS) is always threatened by the suspension load swing under the fuselage during flight. At the same time, the QTS is affected by uncertainties such as changes in desired position and cable length. Trajectory planning is often neglected during the development of the controller. Moreover, there are some shortcomings in the most control methods such as the maximum speed, acceleration, payload swing, and transportation efficiency of the system that cannot be theoretically guaranteed. Therefore, a nonlinear tracking control method is proposed using the segmented energy, which can make the quadrotor move to the target position quickly and smoothly, meanwhile, suppress the heavy swing of the payload. Furthermore, it is proved that the method proposed in this paper can achieve the asymptotic stability of the system equilibrium point and converge to the expected value by Lyapunov theorem and LaSalle's invariance principle. Simulation results show that the control method achieves good control performance and strong robustness against system parameter uncertainty.
Simple and eco‐friendly synthesis of crude orange‐peel‐derived carbon nanoparticles for detection of Fe3+ and ascorbic acid
Authors: Hu Yuanyuan , Ji Wenxuan , Sun Junxuan , Liu Xingyue , Zhou Run , Yan Jiaying , Zhang Nuonuo 
Published: May 2021

AbstractAlthough fluorescence sensors based on carbon dots (CDs) have been developed widely, multicomponent detection using CDs without extra and tedious surface modification remains a challenge. Here, the crude carbon nanoparticles (CPs) as a fluorescence sensor were prepared through one‐pot hydrothermal process using orange peel as the precursor. The method was simple, rapid, economical, and eco‐friendly given that such extra steps as dialysis and lyophilization were not required. By adding ethanol into the reaction solvent, the fluorescence properties of orange‐peel‐derived CPs as well as their sensitivity of detecting Fe3+ with a limit of detection of 0.25 μM were improved. Additionally, orange‐peel‐derived CPs could be used as a fluorescence sensor for detection of ascorbic acid (AA) with a LOD of 5 μM. More importantly, the proposed fluorescence methods were successfully used to qualitatively and quantitatively analyze Fe3+ and AA in real samples. Recovery of Fe3+ from tap water was within the range 97.2–105.4%. Conversely, recovery of AA from vitamin C tablets and orange juices laid within the ranges 97.7–99.3% and 93.2–97.6%, respectively.
Multiple component‐pharmacokinetic studies on 10 bioactive constituents of Peiyuan Tongnao capsule using parallel reaction monitoring mode
Authors: Wang Chenxi , Xing Yanchao , Ding Hui , Wang Ping , Zhang Lihua , Fu Zhifei , Han Lifeng , Pang Xu 
Published: May 2021

AbstractPeiyuan Tongnao capsule (PTC) plays an important role in clinical application due to its excellent curative efficacy in the treatment of ischemic stroke and chronic cerebral circulation insufficiency. To standardize and rationalize the clinical application of PTC, a rapid and sensitive method based on ultra‐high performance liquid chromatography/quadrupole‐Orbitrap mass spectrometry with parallel reaction monitoring (PRM) mode was developed and validated for the pharmacokinetic (PK) study. Ten bioactive compounds (aucubin, salidroside, echinacoside, paeoniflorin, verbascoside, liquiritin, 2,3,5,4′‐tetrahydroxy stilbene‐2‐O‐β‐d‐glucoside, coumarin, glycyrrhizic acid, and emodin) were simultaneously determined in rat plasma. All calibration curves exhibited good linearity (r2 > 0.99). The lower limits of quantification were 0.082–13.291 ng mL−1. The intra‐ and inter‐day precision was 0.54–12.36%, whereas the intra‐ and inter‐day accuracy ranged from 100.45 to 114.00%. The mean extraction recoveries were 81.77–117.66%, and the average matrix effects (MEs) were 86.23–109.96%. The high extraction recoveries and acceptable MEs indicated that the pretreatment method was feasible. And the stability was acceptable under various storage conditions and processing procedures. The validated method was successfully applied to the multiple components‐PK studies, which lay the foundation for further pharmacological and clinical research of PTC and may provide a reference for other traditional Chinese medicines.
LncRNA GAS8‐AS1 downregulates lncRNA NEAT1 to inhibit glioblastoma cell proliferation
Authors: Wu Xiaoming , Jiang Tingting , Huang Rui , Xiao Xue 
Published: May 2021

AbstractBackgroundLncRNA GAS8‐AS1 has been reported to participate in several types of cancer, while its role in glioblastoma (GBM) is unknown. In the present study, we aimed to investigate the function of GAS8‐AS1 in GBM and the underlying mechanisms.MethodsThe expression levels of GAS8‐AS1 and NEAT1 in GBM patients and the healthy controls were measured by performing RT‐qPCR. Diagnostic values of plasma GAS8‐AS1 and NEAT1 for GBM were analyzed by performing ROC curve analysis with GBM patients as true positive cases and the healthy controls as true negative cases. Linear regression analysis was performed to study the correlation between the expression levels of GAS8‐AS1 and NEAT1. The expression levels of GAS8‐AS1 and NEAT1 in GBM cells were also determined by RT‐qPCR. CCK‐8 and transwell invasion assays were performed to detect the proliferation and invasion of GBM cells. Western blot assay was performed to detect the expression levels of β‐catenin, Axin2, c‐myc, cyclin D1, and GAPDH in GBM cells.ResultsGAS8‐AS1 was downregulated, while lncRNA NEAT1 was upregulated in the plasma of GBM patients. Altered expression levels of GAS8‐AS1 and NEAT1 distinguished GBM patients from the healthy controls. The expression of GAS8‐AS1 and NEAT1 was inversely correlated only in GBM patients. Overexpression of GAS8‐AS1 reduced the expression levels of NEAT1 in GBM cells, while knock‐down of GAS8‐AS1 increased the expression levels of NEAT1. However, overexpression of NEAT1 showed no significant effects on the expression of GAS8‐AS1. Knock‐down of GAS8‐AS1 promoted GBM cell proliferation and invasion and enhanced the activation of the Wnt/β‐catenin pathway. However, the effects of knock‐down of GAS8‐AS1 were alleviated by the knock‐down of NEAT1.ConclusionOverexpression of GAS8‐AS1 inhibits GBM cell proliferation and invasion by downregulating NEAT1.
Pembrolizumab for treating advanced urothelial carcinoma in patients with impaired performance status: Analysis of a Japanese nationwide cohort
Authors: Ito Katsuhiro , Kobayashi Takashi , Kojima Takahiro , Hikami Kensuke , Yamada Takeshi , Ogawa Kosuke , Nakamura Kenji , Sassa Naoto , Yokomizo Akira , Abe Takashige , Tsuchihashi Kazunari , Tatarano Shuichi , Inokuchi Junichi , Tomida Ryotaro , Fujiwara Maki , Takahashi Atsushi , Matsumoto Kazumasa , Shimizu Kosuke , Araki Hiromasa , Kurahashi Ryoma , Osaki Yu , Tashiro Yu , Uegaki Masayuki , Ogawa Osamu , Kitamura Hiroshi , Nishiyama Hiroyuki 
Published: May 2021

AbstractBackgroundThe benefits of pembrolizumab in patients with advanced urothelial carcinoma (UC) and impaired performance status (PS) remain unknown. This study assessed the safety and efficacy of pembrolizumab in patients with platinum‐refractory UC and Eastern Cooperative Oncology Group PS ≥2 to identify which subgroups may benefit from this drug.MethodsThis retrospective nationwide cohort study collected clinicopathological information for 755 patients from 59 institutions. The overall response rate (ORR) and overall survival (OS) were compared among the patients with PS 0–1, 2, and 3–4. Multivariate analysis was conducted to identify factors predicting OS in patients with PS ≥2.ResultsThe numbers of patients with PS 0–1, 2, and 3–4 were 602, 98, and 55, respectively; the ORRs in these groups were 29.5, 15.3, and 9.1%, respectively, and the median OS times were 14.3, 3.1, and 2.4 months, respectively. In multivariate Cox regression analysis, a neutrophil–lymphocyte ratio (NLR) ≥3.5 (hazard ratio [HR] = 1.897) and liver metastasis (HR = 2.072) were associated with OS in the PS ≥2 subgroup. The median OS of patients with PS ≥2 without either risk factor was 6.8 months, compared with 3.1 months for patients with one risk factor and 2.3 months for patients with both risk factors.ConclusionsPS ≥2 portended worse ORR and OS than PS ≤1 despite a comparable safety profile. Among the patients with impaired PS, patients with NLR <3.5 and no liver metastasis may most greatly benefit from pembrolizumab therapy.