bluuebunny/crossref_metadata_2025 huggingface dataset:
Activity of daily living in mucopolysaccharidosis IVA patients: Evaluation of therapeutic efficacy
Authors: Chen Hui , Khan Shaukat , Celik Betul , Suzuki Yasuyuki , Ago Yasuhiko , Tomatsu Shunji
Published: October 2021

Background

Mucopolysaccharidosis IVA (MPS IVA, also called Morquio A syndrome) is caused by a deficiency of N‐acetylglucosamine‐6‐sulfate sulfatase (GALNS) and results in skeletal dysplasia symptoms such as short stature and abnormal gait. Treatments include enzyme replacement therapy (ERT) and hematopoietic stem cell transplantation (HSCT), but the effects are limited depending on the age of initiation and clinical phenotype. Thus, this study aims to assess the effects of treatments on MPS IVA patients compared to untreated MPS IVA patients and an age‐matched control group.

Methods

We used activity of daily living (ADL) survey with 4 sections: “movement,” “movement with cognition,” “cognition,” and “other MPS symptoms.” Lower scores indicate more assistance required. This study included 161 patients, 270 total surveys, and 70 patients with longitudinal data.

Results

We describe 134 severe patients and 25 attenuated patients. ERT and HSCT treatment improved only the “other MPS symptoms” section in severe patients. There were no differences between ERT and HSCT severe patient scores. A 19‐year‐old male patient, who had robust physical training, provided a significant increase in “movement” without treatment, suggesting the importance of exercise.

Conclusion

Overall, this ADL questionnaire has demonstrated validation and reliability in assessing the MPS IVA patients and therapeutic efficacy.
New HC division to address national demand for BH services
Authors: Canady Valerie A.
Published: October 2021

A leading national health care system is reaching out to meet the increased demand for behavioral health by launching a new division that will utilize its extensive expertise of mental health professionals to provide consulting management services to help health care organizations around the country establish and improve delivery of hospital and community‐based behavioral health services.
SAMHSA CMHS director comments on record‐setting CMHC grants
Authors: Canady Valerie A.
Published: October 2021

Mental Health Weekly interviewed Anita Everett, M.D., director of the Substance Abuse and Mental Health Services Administration's Center for Mental Health Services (CMHS), last week following an earlier announcement last month that SAMHSA was awarding a record‐setting $825 million in grants to strengthen community mental health centers (CMHCs).
Technical note: A spiral fluid‐attenuated inversion recovery magnetic resonance imaging technique for stereotactic radiosurgery treatment planning for trigeminal neuralgia
Authors: Li Zhiqiang , Srivastava Shiv P. , Karis John P.
Published: October 2021

Purpose

Magnetic resonance imaging (MRI) is commonly used in treatment planning for stereotactic radiosurgery (SRS) of trigeminal neuralgia (TN). With current MRI techniques, the delineation of the trigeminal nerve root entry zone (REZ) may be degraded due to poor contrast and artifacts. The purpose of this work is to develop an MRI technique with better delineation of the trigeminal nerve REZ to improve SRS treatment planning for TN.

Methods

A spiral fluid‐attenuated inversion recovery (FLAIR) MRI technique was developed to improve image quality by improving tissue contrast, fluid suppression, artifact reduction, and signal‐to‐noise ratio (SNR). A concomitant‐phase compensation method based on spiral gradient waveforms was implemented to minimize artifacts due to magnetic field change induced by the metal frame used in Gamma Knife treatment planning. The image quality of spiral FLAIR was assessed in four healthy volunteers. The geometric accuracy was quantitatively evaluated by registering spiral FLAIR to computed tomography (CT) images and comparing it with existing MRI techniques.

Results

The spiral FLAIR technique demonstrated better delineation of the trigeminal nerve REZ, improved tissue contrast of the brain stem, and minimized flow artifacts, compared to steady‐state free precession (SSFP) MRI. Spiral FLAIR also improved fluid suppression, SNR, and artifacts, which contributed to better delineation of the trigeminal nerve REZ compared to conventional Cartesian FLAIR. The measured mean (± standard deviation) distance between spiral FLAIR and CT images is 0.98 ± 0.56 mm, comparable to 0.40 ± 0.26 mm in 3T T1 spoiled gradient echo (T1‐SPGR), 0.59 ± 0.25 mm in 3T SSFP, 0.66 ± 0.38 mm in 1.5T T1‐SPGR, and 0.61 ± 0.25 mm in 1.5T Cartesian FLAIR.

Conclusion

A spiral FLAIR technique with improved image quality and good geometric accuracy provides a potential alternative for treatment planning in SRS for TN patients.
Inferior alveolar canal segmentation based on cone‐beam computed tomography
Authors: Wei Xueqiong , Wang Yuanjun
Published: October 2021

Purpose

The shape and position of the inferior alveolar canal (IAC) are analyzed to effectively reduce the risk of iatrogenic injury based on cone‐beam computer tomography (CBCT). To assist dental clinicians to make better use of the IAC information, we propose an IAC segmentation method based on CBCT images.

Methods

In this paper, CBCT images are first preprocessed by the Hounsfield unit values clipping and gray normalization. Secondly, based on the multi‐plane reconstruction (MPR) and curved surface reconstruction, the curved MPR image sets are generated by the smooth dental arch curve with a sampling distance of 1.00 pixels. Then, the K‐means clustering algorithm is used to cluster the texture parameters of the gray level‐gradient co‐occurrence matrix enhanced by the gradient directions to improve the image contrast of the IAC. Finally, the IAC edges are roughly segmented by the 2D line‐tracking method, and smoothed by the fourth‐order polynomial to obtain the final segmentation result.

Results

Twenty‐one real clinical dental CBCT datasets were used to test the proposed method. The manual segmentation results of two specialized dental clinicians were used as quantitative evaluation criteria. The dice similarity index (DSI), average symmetric surface distance (ASSD), and mean curve distance (MCD) of the left IAC are 0.93 (SD = 0.01), 0.16 mm (SD = 0.05 mm), and 1.59 mm (SD = 0.25 mm), respectively; the DSI, ASSD, and MCD of the right IAC are 0.93 (SD = 0.02), 0.16 mm (SD = 0.05 mm), and 1.60 mm (SD = 0.30 mm), respectively.

Conclusions

The proposed method provides an effective image enhancement and segmentation solution to analyze the shape and position of the IAC. Experimental results show that the relationships between the IAC and other structures can be accurately reflected in the panoramic images without superimposition and geometric distortion, and the smooth edges of the IAC can be segmented.
Maternal adaptations to food intake across pregnancy: Central and peripheral mechanisms
Authors: Clarke Georgia S. , Gatford Kathryn L. , Young Richard L. , Grattan David R. , Ladyman Sharon R. , Page Amanda J.
Published: October 2021

A sufficient and balanced maternal diet is critical to meet the nutritional demands of the developing fetus and to facilitate deposition of fat reserves for lactation. Multiple adaptations occur to meet these energy requirements, including reductions in energy expenditure and increases in maternal food intake. The central nervous system plays a vital role in the regulation of food intake and energy homeostasis and responds to multiple metabolic and nutrient cues, including those arising from the gastrointestinal tract. This review describes the nutrient requirements of pregnancy and the impact of over‐ and undernutrition on the risk of pregnancy complications and adult disease in progeny. The central and peripheral regulation of food intake is then discussed, with particular emphasis on the adaptations that occur during pregnancy and the mechanisms that drive these changes, including the possible role of the pregnancy‐associated hormones progesterone, estrogen, prolactin, and growth hormone. We identify the need for deeper mechanistic understanding of maternal adaptations, in particular, changes in gut–brain axis satiety signaling. Improved understanding of food intake regulation during pregnancy will provide a basis to inform strategies that prevent maternal under‐ or overnutrition, improve fetal health, and reduce the long‐term health and economic burden for mothers and offspring.
Optimal controls for fractional stochastic differential systems driven by Rosenblatt process with impulses
Authors: Dhayal Rajesh , Francisco Gómez‐Aguilar José , Fernández‐Anaya Guillermo
Published: October 2021

The objective of this article is to consider a new class of fractional stochastic differential systems driven by the Rosenblatt process with impulses. We used fractional calculus, stochastic analysis, and Krasnoselskii's fixed point theorem to study the existence of piecewise continuous mild solutions for the proposed system. Further, we discussed the existence of optimal controls for the considered system. Our main results are well supported by an illustrative example.
Spatial contagion structures urban vegetation from parcel to landscape
Authors: Locke Dexter Henry , Ossola Alessandro , Minor Emily , Lin Brenda B.
Published: October 2021

Residential yards are a significant component of urban socio‐ecological systems; residential land covers 11% of the United States and is often the dominant land use within urban areas. Residential yards also play an important role in the sustainability of urban socio‐ecological systems, affecting biogeochemical cycles, water and the climate via individual‐ and household‐level behaviours.

Spatial contagion has been observed in yard vegetation in several cities, potentially due to social norms that compel neighbours to emulate or conform to specific aesthetic qualities or management regimes. Residents may feel obliged to mow their front yards or prune their trees, creating patterns of spatial autocorrelation in residential neighbourhoods.

In this study, we examined the spatial autocorrelation of several yard vegetation characteristics in both front and backyards in Boston, MA, USA. Our study area included 1,027 Census block groups (sub‐neighbourhood areas) and 175,576 parcels with matched front‐backyard pairings (n = 351,152 yards in total) across Boston's metropolitan area. We spatially defined ‘neighbours’ in five ways to better account for the potentially variable nature of how conformity or contagion manifests in empirical terms. We anticipated front yards to have stronger spatial autocorrelation due to the more publicly visible nature of these green spaces.

We found positive and significant spatial autocorrelation in all measured vegetation variables, in both front and backyards. Unexpectedly, spatial autocorrelation tended to be higher in backyards for tree canopy variables but higher in front yards for turf grass cover. Among block groups, different socio‐economic variables, such as median household income, predicted spatial autocorrelation of vegetation characteristics. Our results were sensitive to how neighbours were spatially defined.

Our results further underscore the importance of backyards as critical areas for sustaining an urban tree canopy, and show that spatial patterns vary across different social groups. The importance of ‘neighbour’ definition indicates opportunities to think carefully about the mechanisms driving spatial autocorrelation and the scales at which patterns develop. The identification of these mechanisms will have important implications for scales of policy and implementation for urban and suburban greening.

A free Plain Language Summary can be found within the Supporting Information of this article.
Disparities in health care affordability among childhood cancer survivors persist following the Affordable Care Act
Authors: Fiala Mark A.
Published: October 2021

Background

The Affordable Care Act (ACA) included many provisions that may have improved access to care for childhood cancer survivors (CCS). In this study, we sought to compare health insurance coverage and the affordability of health care among adult childhood CCS before and after the implementation of the ACA.

Procedure

Using data from the National Health Interview Survey (NHIS), two cohorts of CCS age 21–65 years old and matched (1:3) controls without a history of cancer were identified. A difference‐in‐differences analysis was used to compare insurance coverage and health care affordability pre‐ (2011–2013) and post‐ACA (2015–2017).

Results

There were 309 CCS identified in the pre‐ACA cohort and 324 in the post‐ACA cohort. The two cohorts were similar in demographic composition. Prior to the ACA, CCS were 39% more likely to be uninsured than their peers (p = .046). Post, there was no difference in the odds of being uninsured between CCS and their peers. Following implementation of the ACA, the proportion of CCS who reported having difficulty with the affordability of health care decreased (p = .013) as did the proportion reporting skipping needed care due to cost (p < .001). However, 13% of CCS still reported being uninsured, 36% reported difficulty paying for health care, and 13% reported foregoing needed care due to cost. Relative to their peers, CCS saw improvement in foregoing needed care due to cost, but disparities still remain.

Conclusions

Although improvements were observed, health care affordability, and medical nonadherence remains a problem for CCS.

Implications for cancer survivors

Additional efforts are needed to improve health care affordability among CCS.
Strength prediction in single beads of large area additive manufactured short‐fiber polymers
Authors: Russell Timothy , Jack David A.
Published: October 2021

The use of fiber reinforcement in large area additive manufactured components is of industrial interest due to the ability to enhance the structural properties of final processed parts. This work presents a methodology to predict the tensile, compressive, and flexural yield strength of single beads of a large‐scale, 3D printed, short‐fiber reinforced material. The methodology is built on the strength theory of Van Hattum and Bernardo, which combines the Tsai‐Wu failure criteria with Advani and Tucker's orientation averaging technique, allowing fiber orientation flow model results to serve as direct input into strength predictions. Visual advantages of the methodology such as the ability to plot spatially varying strength constants and failure plots are demonstrated. In addition, an analysis of the methodology's sensitivity to various parameters is conducted.
Evaluation of the morphological, rheological, dynamic mechanical and mechanical characteristics of compatibilized graphene oxide/poly(ethylene terephthalate)/poly(butylene terephthalate) nanocomposites
Authors: Ucpinar Durmaz Bedriye , Atılgan Miray Gözde , Aytac Ayse
Published: October 2021

The effectiveness of graphene oxide (GO) as reinforcement material and Joncryl as compatibilizing agent for poly(ethylene terephthalate) (PET)/poly(butylene terephthalate) (PBT) blend was evaluated. The blend and its nanocomposites were produced via melt extrusion and injection molding. Properties of the produced samples were explored by using Fourier transform infrared spectroscopy, scanning electron microscope (SEM), melt rheological measurements, dynamic mechanical analysis, and tensile test. While there was no interaction between GO and PET/PBT, the addition of Joncryl to nanocomposites resulted in possible ring‐opening reactions. SEM images showed that all nanocomposites were brittle and agglomerated while the PET/PBT matrix showed a ductile structure. The GO and Joncryl addition enhanced the viscoelastic properties of the PET/PBT. The tensile strength and elongation at break values of PET/PBT, decreased with the addition of GO, indicates weak interfacial adhesion. Joncryl has developed the mechanical properties by compatibilizing PET/PBT and GO.
Risk of major congenital malformations associated with first‐trimester exposure to propulsives: A health administrative database study in Japan
Authors: Ishikawa Tomofumi , Obara Taku , Akazawa Manabu , Noda Aoi , Oyanagi Gen , Morishita Kei , Miyakoda Keiko , Nishigori Hidekazu , Kawame Hiroshi , Yaegashi Nobuo , Kuriyama Shinichi , Mano Nariyasu
Published: October 2021

Purpose

To evaluate the risk of major congenital malformations (MCMs) associated with first‐trimester exposure to propulsives with a special focus on domperidone using a large administrative database in Japan.

Methods

A large claims database was used from January 2005 to August 2016. The dates of pregnancy onset and delivery were estimated using the developed algorithms. MCMs were defined according to the International Classification of Diseases, 10th revision codes. We compared the infants' risk of overall MCMs between women with or without first‐trimester prescriptions of propulsives and estimated the odds ratios (ORs) with unadjusted and adjusted analyses. We also compared the risk of overall MCMs between women with domperidone prescriptions and those with other propulsive prescriptions during the first trimester.

Results

Among 38 270 women, propulsives were prescribed to 3197 women (8.4%) in the first trimester, including domperidone to 371 women (1.0%). Propulsive prescriptions in the first trimester were not significantly associated with an increased risk of overall MCMs (adjusted OR [aOR] 1.030, 95% confidence interval [CI] 0.843–1.257). Compared to the prescription of other propulsives in the first trimester, the prescription of domperidone in the first trimester was not associated with an increased risk of overall MCMs (aOR 0.724, 95% CI 0.363–1.447).

Conclusions

The first‐trimester prescription of propulsives, including domperidone, was not associated with an increased risk of overall MCMs.
Copolymerization of carbon dioxide and oxetane catalyzed by aluminum porphyrin complex system
Authors: Honda Masayoshi , Nakamura Ryo , Sugimoto Hiroshi
Published: October 2021

Tetraphenylporphinatoaluminum chloride ([TPP]AlCl) catalyst and tetra‐n‐butylammonium bromide (TBAB) cocatalyst system is effective for the copolymerization of CO2 and oxetane even under low CO2 pressure (~2 MPa). In the presence of toluene as a solvent, poly(trimethylene carbonate) (PTMC) containing >99% of carbonate linkages with Mn = 8600 and Mw/Mn = 1.70 was synthesized. This is the first report of PTMC formation with excellent ratio of carbonate linkages from oxetane and CO2. According to the kinetic analysis, proton nuclear magnetic resonance (1H NMR) and matrix assisted laser desorption/ionization time‐of‐flight mass spectrometry (MALDI‐TOF/MS) measurements of the products, PTMC was mainly synthesized via (i) the trimethylene carbonate (TMC) formation from CO2 and oxetane and (ii) the successive ring‐opening polymerization of TMC.
Bioequivalence and food effect of a fixed‐dose combination of macitentan and tadalafil: Adaptive design in the COVID‐19 pandemic
Authors: Csonka Dénes , Fishman Vladislav , Natarajan Jaya , Stieltjes Hans , Armas Danielle , Dishy Victor , Perez Ruixo Juan Jose
Published: October 2021

The COVID‐19 pandemic has forced clinical studies to accommodate imposed limitations. In this study, the bioequivalence part could not be conducted as planned. Thus, the aim was to demonstrate bioequivalence, using an adaptive study design, of tadalafil in fixed‐dose combination (FDC) tablets of macitentan/tadalafil with single macitentan and tadalafil (Canadian‐sourced) tablets and assess the effect of food on FDC tablets in healthy subjects. This Phase 1, single‐center, open‐label, single‐dose, two‐part, two‐period, randomized, crossover study enrolled 62 subjects. Tadalafil bioequivalence as part of FDC of macitentan/tadalafil (10/40 mg) with single‐component tablets of macitentan (10 mg) and tadalafil (40 mg) was determined by pharmacokinetic (PK) assessment under fasted conditions. The effect of food on FDC was evaluated under fed and fasted conditions. Fasted 90% confidence intervals (CIs) for geometric mean ratios (GMRs) were within bioequivalence limits for tadalafil and macitentan. Fed and fasted 90% CIs for area under the curve (AUC) GMR were within bioequivalence limits. However, 90% CIs for maximum plasma concentration (Cmax) GMR for macitentan and tadalafil were outside bioequivalence limits. One FDC‐treated subject experienced a serious adverse event of transient ischemic attack (bioequivalence part). To address pandemic‐imposed limitations, an adaptive study design was implemented to demonstrate that the FDC tablet was bioequivalent to the free combination of macitentan and tadalafil (Canadian‐sourced). No clinically significant differences in PK were determined between fed and fasted conditions; the FDC formulation could be taken irrespective of meals. The FDC formulation under fasted and fed conditions was well tolerated with no clinically relevant differences in safety profiles between the treatment groups.

NCT Number: NCT04235270.
Effects of a reactive oxygen species generator, napabucasin (BBI608), on tolerability, safety, pharmacokinetics, and QT/QTc interval in healthy volunteers
Authors: Noda Naoto , Takagaki Takeshi , Yodo Yasuhide , Horibuchi Yuzo , Iino Shuichi , Matsuki Shunji , Ogama Yoichiro , Kakuyama Hiroyoshi
Published: October 2021

This study examined the safety, tolerability, and pharmacokinetics (PK) of napabucasin in healthy Asian and non‐Asian participants and investigated the potential for QT/QTc interval prolongation. This five‐part (A–E) study proceeded in a stepwise manner, unless stopping criteria were met. Parts A–D were randomized, double‐blind, placebo‐controlled, and included healthy Asian male and female and non‐Asian male participants. PK parameters were measured following single‐dose napabucasin (80–1200 mg) in the fasted or fed state (Part D). Potential QT/QTc interval prolongation was assessed using digital 12‐lead electrocardiogram (Parts B and C). Part E was open‐label, and examined the PK of single‐dose napabucasin (240–720 mg) in healthy non‐Asian males. Safety and tolerability were measured in Parts A–E. Changes from baseline in the Fridericia‐corrected QT interval (ΔQTcF) and other electrocardiogram parameters were analyzed using a linear mixed‐effects model. Napabucasin was well‐tolerated across the study (n = 70), and no serious adverse events or significant safety issues were reported when administered with or without food. The most frequent treatment‐emergent adverse events were diarrhea and abdominal pain, and these were mild in severity. No prolongation of the QTcF interval was reported following single‐dose napabucasin (240–1200 mg) and changes in other cardiac parameters were negligible. The PK profile of napabucasin was consistent with earlier studies. Single‐dose napabucasin was tolerated in healthy male and female participants, and no significant safety (including no QTcF prolongation) or tolerability issues were identified, irrespective of food intake. Clinical studies of napabucasin in advanced cancers are ongoing.
Effects of membrane transport activity and cell metabolism on the unbound drug concentrations in the skeletal muscle and liver of drugs: A microdialysis study in rats
Authors: Wang Shuyao , Chen Chun , Guan Chi , Qiu Liping , Zhang Lei , Zhang Shaofeng , Zhou Hongyu , Du Hongwen , Li Chen , Wu Yaqiong , Chang Hang , Wang Tao
Published: October 2021

The unbound concentrations of 14 commercial drugs, including five non‐efflux/uptake transporter substrates—Class I, five efflux transporter substrates—class II and four influx transporter substrates—Class III, were simultaneously measured in rat liver, muscle, and blood via microanalysis. Kpuu,liver and Kpuu,muscle were calculated to evaluate the membrane transport activity and cell metabolism on the unbound drug concentrations in the skeletal muscle and liver. For Class I compounds, represented by antipyrine, unbound concentrations among liver, muscle and blood are symmetrically distributed when compound hepatic clearance is low. And when compound hepatic clearance is high, unbound concentrations among liver, muscle and blood are asymmetrically distributed, such as Propranolol. For Class II and III compounds, overall, the unbound concentrations among liver, muscle, and blood are asymmetrically distributed due to a combination of hepatic metabolism and efflux and/or influx transporter activity.
Citrus flavonoids as potential therapeutic agents: A review
Authors: Alam Fiaz , Mohammadin Kinza , Shafique Zainab , Amjad Sayyeda Tayyeba , Asad Mohammad Hassham Hassan bin
Published: October 2021

The plants Rutaceae family are known to have contributed a lot toward food and medicine. The most important metabolites of the family are flavonoids. A systematic review was conducted to collect chemical and pharmacological information of flavonoids isolated from family Rutaceae till 2018. A plethora of flavonoids have been isolated and studied systematically for various bioactivities, including anticancer, antibacterial, antiviral, analgesic, antioxidant, antidiabetic, antiinflammatory, in bronchitis, ulcers, and so on. The important groups of flavonoids isolated are naringin, poncirin, rhoifolin, marmesin, hesperidin, tangeretin, nobiletin, glychalcone, glyflavanone, lemairone, acacetin 3,6‐di‐C‐glucoside, vicenin‐2, lucenin‐2 4′‐methyl ether, narirutin 4′‐O‐glucoside, apigenin 8‐C‐neohesperidoside, phloretin 3′,5′‐di‐C‐glucoside, rutin, rhamnetin, dihydrokaempferol, dihydrokaempferol 3‐O‐rhamnoside (engeletin) and kaempferol, excavaside A and B, myricetin 3‐O‐β‐D‐rutinoside, myricetin 3,3′‐di‐α‐l‐rhamnopyranoside, myricetin 3′‐α‐l‐rhamnopyranoside, and others. The flavonoids isolated from the citrus family need to be considered from a nutraceutical, therapeutic, and pharmaceutical point of view for future medicine.
The potential of numerical prediction systems to support the design of Arctic observing systems: Insights from the APPLICATE and YOPP projects
Authors: Sandu Irina , Massonnet François , van Achter Guillian , Acosta Navarro Juan C. , Arduini Gabriele , Bauer Peter , Blockley Ed , Bormann Niels , Chevallier Matthieu , Day Jonathan , Dahoui Mohamed , Fichefet Thierry , Flocco Daniela , Jung Thomas , Hawkins Ed , Laroche Stephane , Lawrence Heather , Kristiansen Jørn , Moreno‐Chamarro Eduardo , Ortega Pablo , Poan Emmanuel , Ponsoni Leandro , Randriamampianina Roger
Published: October 2021

Numerical systems used for weather and climate predictions have substantially improved over past decades. We argue that despite a continued need for further addressing remaining limitations of their key components, numerical prediction systems have reached a sufficient level of maturity to examine and critically assess the suitability of Earth's current observing systems – remote and in situ, for prediction purposes; and that they can provide evidence‐based support for the deployment of future observational networks. We illustrate this point by presenting recent, co‐ordinated international efforts focused on Arctic observing systems, led in the framework of the Year of Polar Prediction and the H2020 project APPLICATE. The Arctic, one of the world's most rapidly changing regions, is relatively poorly covered in terms of in situ data but richly covered in terms of satellite data. In this study, we demonstrate that existing state‐of‐the‐art datasets and targeted sensitivity experiments produced with numerical prediction systems can inform us of the added value of existing or even hypothetical Arctic observations, in the context of predictions from hourly to interannual time‐scales. Furthermore, we argue that these datasets and experiments can also inform us how the uptake of Arctic observations in numerical prediction systems can be enhanced to maximise predictive skill. Based on these efforts we suggest that (a) conventional in situ observations in the Arctic play a particularly important role in initializing numerical weather forecasts during the winter season, (b) observations from satellite microwave sounders play a particularly important role during the summer season, and their enhanced usage over snow and sea ice is expected to further improve their impact on predictive skill in the Arctic region and beyond, (c) the deployment of a small number of in situ sea‐ice thickness monitoring devices at strategic sampling sites in the Arctic could be sufficient to monitor most of the large‐scale sea‐ice volume variability, and (d) sea‐ice thickness observations can improve the simulation of both the sea ice and near‐surface air temperatures on seasonal time‐scales in the Arctic and beyond.
Diamidoamine Aluminum Complexes: Synthesis, Structure, L–Lactide and ϵ‐Caprolactone Polymerization
Authors: Kuchuk Ekaterina A. , Kireenko Marina M. , Mankaev Badma N. , Zaitsev Kirill V. , Churakov Andrei V. , Lermontova Elmira Kh. , Kuz'mina Lyudmila G. , Oprunenko Yuri F. , Zhirnov Artem E. , Zaitseva Galina S. , Karlov Sergey S.
Published: October 2021

A series of methyl and chlorido aluminum complexes decorated with diamidoamine ligands with different number of carbon atoms in the alkyl chains were prepared via methane elimination, salt methatesis route, transmetallation strategy or chlorination. They were investigated by various methods including 19F, 27Al NMR spectroscopy and showed to be active catalysts of ring‐opening polymerization of ϵ‐Cl and L−La.
Insights into Pinacol Rearrangement: Oxidative versus Acid‐Catalyzed Mechanism
Authors: Monopoli Antonio , Casiello Michele , Fusco Caterina , D'Accolti Lucia , Ciminale Francesco , Nacci Angelo
Published: October 2021

Reactions of both diastereomers of 1,2‐bis(4‐methoxyphenyl)cyclohexane‐1,2‐diol (1 d) with tris(2,4‐dibromo‐phenyl)aminium hexachloroantimonate as the oxidant in dichloromethane have been investigated to get evidence on the possibility that a pinacol rearrangement may be oxidatively activated rather than acid‐catalyzed. Relevant to this, we found that in the presence of an excess (4 eq) of oxidant, cis‐1 d afforded the rearrangement product 2,2‐bis(4‐methoxyphenyl)cyclohexanone in large amounts, while trans‐1 d gave exclusively the oxidative cleavage product 1,6‐bis(4‐methoxyphenyl)hexane‐1,6‐dione. Stereospecific implications explaining the reactivity difference between the two diastereomeric radical cation intermediates, cis‐ and trans‐1 d⋅+, are discussed.
Facile Extraction of Three Main Indole Alkaloids from Mitragyna speciosa by Using Hot Water
Authors: Khunnawutmanotham Nisachon , Chimnoi Nitirat , Nangkoed Phonchanok , Hasakunpaisarn Anuch , Wiwattanapaisarn Waraporn , Techasakul Supanna
Published: October 2021

The study presented a facile and efficient extraction method of main indole alkaloids from the fresh leaves of Mitragyna speciosa. A water extract containing three main indole alkaloids, namely mitragynine (MG), paynantheine (PT), and speciogynine (SG), was obtained by boiling the fresh leaves in water followed by partitioning with dichloromethane. The extraction yield of 1.0 % (w/w) was obtained under the optimized conditions. The contents of MG, PT, and SG obtained from water extraction were determined by high‐performance liquid chromatography analysis and were found to be comparable to those obtained from methanol extraction. However, because the extraction yield obtained from using methanol was tenfold higher than that from using hot water, this indicated the presence of some undesirable materials in the methanol but not in water extract. This method provided an alkaloid‐rich extract of M. speciosa. The procedure was easy to perform, inexpensive, environmentally benign, and could be easily scaled up from laboratory to industrial scale.
Effect of Cobalt Doping on the Stability of CaO‐Based Catalysts for Dimethyl Carbonate Synthesis via the Transesterification of Propylene Carbonate with Methanol
Authors: Huo Linmeng , Wang Tian , Pu Yanfeng , Li Chenxin , Li Lei , Zhai Minglu , Qiao Congzhen , Bai Yan
Published: October 2021

To improve the stability of the a CaO catalyst with high activity in the synthesis of dimethyl carbonate (DMC) at low‐temperatures via the transesterification of propylene carbonate (PC) with methanol, a series of Co‐doped CaO nanoparticles were synthesized with different cobalt contents via the sol‐gel method, and the catalytic performance of these catalysts increased in the order of 0.7Ca0.3Co<0.8Ca0.2Co<CaO<0.95Ca0.05Co<0.9Ca0.1Co. The characterization results of BET, XRD, FT‐IR, SEM, TEM, CO2‐TPD and XPS indicated that the addition of cobalt to CaO could form a novel layered structure of the Ca3Co4O9 carrier, which favoured the formation of strongly basic sites and then improved the activation of PC and methanol. The catalytic activity of traditional metal oxide catalysts is lower than that of pure CaO; however, the initial activity of the novel layered structure of the 0.9Ca0.1Co catalyst reached 72.9 %, which is obviously higher than that of 65.8 % for CaO. Furthermore, the results of long‐term catalytic evaluation showed that the best 0.9Ca0.1Co catalyst exhibited a stable PC conversion of 95.4 % and DMC yield of 93.1 % at 65 °C even after 168 h in the reactive distillation reactor. The deactivation mechanism showed that the layered structure of Ca3Co4O9 could stabilize CaO and prolong the life of the catalyst.
Recent Advancement in the Copper Mediated Synthesis of Heterocyclic Amides as Important Pharmaceutical and Agrochemicals
Authors: Chandra Prakash
Published: October 2021

Copper with variable oxidation states, Earth abundance was used as a tunable and multifunctional catalyst promoting organic transformations. Copper‐based catalytic materials have been effectively utilized in bioorganic chemistry, material science, and natural products synthesis. Several organic transformations involving cycloadditions, cyclizations, cross‐couplings, and condensations in one‐pot assist in the formation of multiple bonds like C−C/C−O bonds, C−C/C−N bonds, and C−N/C−S bonds. Copper has recently been explored as efficient catalytic material for the synthesis of heterocyclic amides. Heterocyclic amides are essential organic compounds are quite prevelent in the pharmaceuticals, fine chemicals and natural products. The heterocyclic amides are the key components of multivarious ace drugs and bio‐molecules like peptides and proteins, and several natural products. Therefore, heterocyclic amides are of much significance, and research focusing on the facile methods is of much interest to contemporary synthetic chemists. Different techniques have been developed using copper‐based catalysts for the synthesis of heterocyclic amdes. These heterocyclic amides are prepared by the reaction of C(sp3)−H, C(sp2)−H, C(sp)−H bonds, aldehydes, ketones, carboxylic acid, carboxylic acid‐based surrogates, and amine surrogates. N‐alkyation of amides with multifarious substrates has been the extensively investigated for the synthesis of heterocyclic amides. Finally, multicomponent domino reactions have also been investigated for the synthesis of heterocycic amides. The present review summarises various synthetic techniques for the copper catalyzed heterocyclic amides synthesis.
Highly Effective Freshwater and Seawater Electrolysis Enabled by Atomic Rh‐Modulated Co‐CoO Lateral Heterostructures
Authors: Tran Phan Khanh Linh , Tran Duy Thanh , Malhotra Deepanshu , Prabhakaran Sampath , Kim Do Hwan , Kim Nam Hoon , Lee Joong Hee
Published: October 2021

Atomic metal‐modulated heterostructures have been evidenced as an exciting solution to develop high‐performance multifunctional electrocatalyst toward water splitting. In this research, a catalyst of continuous cobalt‐cobalt oxide (Co‐CoO) lateral heterostructures implanted with well‐dispersed rhodium (Rh) atoms and shelled over conductive porous 1D copper (Cu) nano‐supports for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in both freshwater and seawater under alkaline condition is proposed. It is found that synergistic effects coming from uniform Rh atoms at doping level and Co‐CoO heterostructures afford rich multi‐integrated active sites and excellent charge transfer, thereby effectively promoting both HER and OER activities. The material requires overpotentials of 107.3 and 137.7 mV for HER and 277.7 and 260 mV for OER to reach an output of 10 mA cm−1 in freshwater and mimic seawater, respectively, surpassing earlier reported catalysts. Compared to a benchmark a Pt/C//RuO2‐based two‐electrode electrolyzer, a device derived from the 1D‐Cu@Co‐CoO/Rh on copper foam delivers comparable cell voltages of 1.62, 1.60, and 1.70 V at 10 mA cm−2 in freshwater, mimic seawater, and natural seawater, respectively, together with robust stability. These results evidence that 1D‐Cu@Co‐CoO/Rh is a promising catalyst for green hydrogen generation via freshwater and seawater electrolysis applications.
Metal‐Polyphenol‐Network Coated Prussian Blue Nanoparticles for Synergistic Ferroptosis and Apoptosis via Triggered GPX4 Inhibition and Concurrent In Situ Bleomycin Toxification
Authors: Zhou Lulu , Chen Jinjin , Li Ruihao , Wei Lizhen , Xiong Haitao , Wang Chunhui , Chai Keke , Chen Mengyao , Zhu Zhounan , Yao Tianming , Lin Yun , Dong Chunyan , Shi Shuo
Published: October 2021

Given that traditional anticancer therapies fail to significantly improve the prognoses of triple negative breast cancer (TNBC), new modalities with high efficiency are urgently needed. Herein, by mixing the metal‐phenolic network formed by tannic acid (TA), bleomycin (BLM), and Fe3+ with glutathione peroxidase 4 (GPX4) inhibitor (ML210) loaded hollow mesoporous Prussian blue (HMPB) nanocubes, the HMPB/ML210@TA‐BLM‐Fe3+ (HMTBF) nanocomplex is prepared to favor the ferroptosis/apoptosis synergism in TNBC. During the intracellular degradation, Fe3+/Fe2+ conversion mediated by TA can initiate the Fenton reaction to drastically upregulate the reactive oxygen species level in cells, subsequently induce the accumulation of lipid peroxidation, and thereby cause ferroptotic cell death; meanwhile, the released ML210 efficiently represses the activity of GPX4 to activate ferroptosis pathway. Besides, the chelation of Fe2+ with BLM leads to in situ BLM toxification at tumor site, then triggers an effective apoptosis to synergize with ferroptosis for tumor therapy. As a result, the superior in vivo antitumor efficacy of HMTBF is corroborated in a 4T1 tumor‐bearing mice model regarding tumor growth suppression, indicating that the nanoformulations can serve as efficient ferroptosis and apoptosis inducers for use in combinatorial TNBC therapy.
Structure and Charge Regulation Strategy Enabling Superior Cyclability for Ni‐Rich Layered Cathode Materials
Authors: Huang Wei , Li Wenjin , Wang Lve , Zhu He , Gao Min , Zhao Huan , Zhao Jinling , Shen Xueling , Wang Xiaodan , Wang Ze , Qi Chuanlei , Xiao Wei , Yao Lei , Wang Jiantao , Zhuang Weidong , Sun Xueliang
Published: October 2021

Ni‐rich layered oxides are significantly promising cathode materials for commercial high‐energy‐density lithium‐ion batteries. However, their major bottlenecks limiting their widespread applications are capacity fading and safety concerns caused by their inherently unstable crystal structure and highly reactive surface. Herein, surface structure and bulk charge regulation are concurrently achieved by introducing high‐valence Ta5+ ions in Ni‐rich cathodes, which exhibit superior electrochemical properties and thermal stability, especially a remarkable cyclic stability with a capacity retention of 80% for up to 768 cycles at a 1C rate versus Li/Li+. Due to the partial Ta enrichment on surface, the regulated surface enables high reversibility of Li+ insertion/extraction by preventing surface Ni reduction in deep charging. Moreover, bulk charge regulation that boosts charge density and its localization on oxygen remarkably suppresses microcracks and oxygen loss, which in turn prevents the fragmentation of the regulated surface and structural degradation associated with oxygen skeleton. This study highlights the significance of an integrated optimization strategy for Ni‐rich cathodes and, as a case study, provides a novel and deep insights into the underlying mechanisms of high‐valence ions substitution of Ni‐rich layered cathodes.
GPU acceleration of finite state machine input execution: Improving scale and performance
Authors: Yaneva Vanya , Rajan Ajitha , Dubach Christophe
Published: October 2021

Model‐based development is a popular development approach in which software is implemented and verified based on a model of the required system. Finite state machines (FSMs) are widely used as models for systems in several domains. Validating that a model accurately represents the required behaviour involves the generation and execution of a large number of input sequences, which is often an expensive and time‐consuming process. In this paper, we speed up the execution of input sequences for FSM validation, by leveraging the high degree of parallelism of modern graphics processing units (GPUs) for the automatic execution of FSM input sequences in parallel on the GPU threads. We expand our existing work by providing techniques that improve the performance and scalability of this approach. We conduct extensive empirical evaluation using 15 large FSMs from the networking domain and measure GPU speed‐up over a 16‐core CPU, taking into account total GPU time, which includes both data transfer and kernel execution time. We found that GPUs execute FSM input sequences up to 9.28× faster than a 16‐core CPU, with an average speed‐up of 4.53× across all subjects. Our optimizations achieve an average improvement over existing work of 58.95%for speed‐up and scalability to large FSMs with over 2K states and 500K transitions. We also found that techniques aimed at reducing the number of required input sequences for large FSMs with high density were ineffective when applied to all‐transition pair coverage, thus emphasizing the need for approaches like ours that speed up input execution.
Prediction of compressive strength of geopolymer concrete using machine learning techniques
Authors: Gupta Tanuja , Rao Meesala Chakradhara
Published: October 2021

Geopolymer concrete (GPC) is the result of an inorganic polymerization reaction that takes place in presence of an alkaline medium in the materials such as fly ash and slag, which are rich in silicates and aluminates. In this study, an artificial neural network (ANN), multiple linear regression, and the multivariate nonlinear regression (MNLR) models were designed to predict the 28 days compressive strength of the GPC. To train the models, a total of 289 data sets were used, which were published by different researchers in the open literature. The input parameters, namely, binder content, amount of slag, rest period, curing temperature, curing period, the ratio of NaOH/Na2SiO3, amount of superplasticizer, extra water added, the molarity of NaOH, alkaline activator to binder ratio, amount of coarse, and fine aggregate were used. The performance of the ANN model was better than the multi linear regression (MLR) and multi non‐linear regression (MNLR) models to estimate the strength. The sensitivity analysis on ANN was also performed to study the influence of each parameter. The sensitivity analysis shows that the ratio of NaOH/Na2SiO3 significantly affects the compressive strength of GPC.
Relationship between water absorption and porosity in concrete with limestone powder addition
Authors: Li Chenzhi
Published: October 2021

In this work, the effect of limestone powder addition on the capillary water absorption of concrete was studied using the sorptivity coefficient to characterize the water absorption rate. MIP and SEM analyses were used to investigate the underlying microscopic mechanisms that affect the water absorption performance. The results indicate that adding less than 10 wt% limestone powder decreases the initial and second sorptivity coefficients due to densification of microstructure, which is confirmed by SEM images. An increased fineness of limestone powder also contributes to a decreased sorptivity coefficient. MIP analysis demonstrates that adding appropriate limestone powder reduces the total porosity and refines the pore structure. Variation of the second sorptivity coefficient with porosity suggests that a critical porosity for depercolation occurs at 0.09, below which the sorptivity coefficient decreases sharply due to the depercolation of the pore network. Based on the percolation theory, three water transport regimes, that is, subcritical, critical, and supercritical regimes, are identified with increasing porosity. The sorptivity coefficient in each regime is predicted based on the pore structure characteristics coupled with the percolation theory.
Quantitative evaluation and improvement of seismic resilience of a tall frame shear wall structure
Authors: Lu Xiao , Chen An
Published: October 2021

Tall buildings are an important part of a city, and their earthquake‐induced damage or collapse will lead to heavy losses, extended repair time, and casualties. Therefore, it is essential to quantify and improve the resilience of tall buildings. To this end, this paper develops a component damage‐based metric to characterize tall buildings' functionality loss and then proposes a general quantitative evaluation process to evaluate tall buildings' resilience. Next, the evaluation process is applied to a 42‐story reinforced concrete frame shear wall building to demonstrate its applicability. Finally, retrofit strategies on nonstructural components are discussed to enhance the building's resilience. It can be concluded that the proposed metric can be effectively used to evaluate tall buildings' functionality loss. The building being studied has great seismic resilience, with resilience values of 99.95%, 98.68%, and 88.69% at service level earthquake (SLE), design level earthquake (DBE), and maximum considered earthquake (MCE), respectively. The influence of nonstructural components on seismic resilience is greater than that of structural components at SLE and DBE levels. It is an effective alternative to enhance the seismic resilience of tall buildings under SLE and DBE by improving the performance of partition walls, ceilings, and equipment.
The inhibitory effect and mechanism of quetiapine on tumor progression in hepatocellular carcinoma in vivo
Authors: Su Chun‐Min , Lin Song‐Shei , Wang Hsiao‐Chia , Hsu Fei‐Ting , Chung Jing Gung , Hsu Li‐Cho
Published: October 2021

Hepatocellular carcinoma (HCC) is the primary tumor of the liver and the fourth leading cause of cancer‐related death. Recently, several studies indicated the anti‐tumor potential of antipsychotic medicine. Quetiapine, an atypical antipsychotic, is used to treat schizophrenia, bipolar disorder, and major depressive disorder since 1997. However, whether quetiapine may show potential to suppress HCC progression and its underlying mechanism is persisting unclear. Quetiapine has been shown to induce apoptosis and inhibit invasion ability in HCC in vitro. Here, we established two different HCC (Hep3B, SK‐Hep1) bearing animals to identify the treatment efficacy of quetiapine. Tumor growth, signaling transduction, and normal tissue pathology after quetiapine treatment were validated by caliper, bioluminescence image, immunohistochemistry (IHC), and hematoxylin and eosin staining, respectively. Quetiapine suppressed HCC progression in a dose‐dependent manner. Extracellular signal‐regulated kinases (ERKs) and Nuclear factor‐κB (NF‐κB) mediated downstream proteins, such as myeloid leukemia cell differentiation protein (MCL‐1), cellular FLICE‐inhibitory protein (C‐FLIP), X‐linked inhibitor of apoptosis protein (XIAP), Cyclin‐D1, matrix metallopeptidase 9 (MMP‐9), vascular endothelial growth factor‐A (VEGF‐A) and indoleamine 2,3‐dioxygenase (IDO) which involved in proliferation, survival, angiogenesis, invasion and anti‐tumor immunity were all decreased by quetiapine. In addition, extrinsic/intrinsic caspase‐dependent and caspase‐independent pathways, including cleaved caspase‐3, −8, and − 9 were increased by quetiapine. In sum, the tumor inhibition that results from quetiapine may associate with ERK and NF‐κB inactivation.
Develop FERPA guidance for online course delivery
Authors: Pavlik Amelia
Published: October 2021

March 2020 brought a lot of firsts to Helen Garrett's professional world as University Registrar and Chief Officer of Enrollment Information Services at the University of Washington.