bluuebunny/crossref_metadata_2025 huggingface dataset:
Decreasing Crystallinity is Beneficial to the Superoxide Dismutase‐like Activity of Ceria Nanoparticles
Authors: Li Fang , Yang Lu , Zou Ling , Wu Yonghui , Hu Chengbo , He Jian , Yang Xiaochao
Published: January 2022

Ceria nanoparticles were classified as nanozymes because they are able to mimic the activities of some natural enzymes such as superoxide dismutase (SOD), catalase, oxidase and photolyase under given conditions. These functions have driven studies to explore the factors that could promote ceria nanoparticle enzyme activities. Accordingly, factors including size, shape, exposed plane and surface coating that could modulate the enzymatic activities of ceria nanoparticles have been explored. In the present study, we investigated the relationship between ceria nanoparticle crystallinity and SOD‐like activity. Two groups of ceria nanoparticles with sizes of several nanometers and tens of nanometers in each group were synthesized with different crystallinities. The ceria nanoparticle crystallinities were closely connected to their Ce3+/Ce4+ ratio, where the lower crystallinity resulted in a higher Ce3+ concentration and vice versa. The catalytic activity evaluation results indicated that the nanoparticles featuring lower crystallinity exhibited higher SOD‐like activity even though the nanoparticles had a smaller specific surface area. The crystallinity‐dominated SOD‐like activity variation could be sensed by cells, as the nanoparticles featuring lower crystallinity could better protect the cells from paraquat‐induced oxidative stress. Therefore, decreasing crystallinity could be an effective way to achieve highly active ceria nanoparticles for SOD‐related biological applications.
Comparative Pharmacokinetics Between a Fixed‐Dose Combination of Pitavastatin/Valsartan 4/160 mg and the Corresponding Individual Components Through a Partial Replicated Crossover Design in Healthy Male Subjects
Authors: Na Joo Young , Yang Eunsol , Kim Jae‐Hoon , Kwon In Sun , Jin Eun‐Heui , Yu Kyung‐Sang , Kim Jinsook , Lee SeungHwan , Hong Jang Hee
Published: January 2022

Hypertension and hyperlipidemia are often comorbid, requiring combination therapies of antihypertensive drugs and antihyperlipidemia drugs. Taking 1 fixed‐dose combination (FDC) may increase patient compliance rather than taking each of the drugs separately. This study aimed to evaluate the pharmacokinetic bioequivalence between an FDC of pitavastatin/valsartan 4/160 mg and the corresponding individual components. Considering that valsartan is a highly variable drug for maximum plasma concentration (Cmax), an open‐label, randomized, partial replicated crossover study was conducted in 54 healthy subjects. The subjects received a single oral dose of the FDC of pitavastatin/valsartan 4/160 mg in 1 period or the corresponding individual components in the other 2 periods. The geometric mean ratios and their 90%CIs of the FDC to the corresponding individual components for Cmax and area under the concentration‐time curve from time 0 to the last measurable time point were 1.05 (90%CI, 0.96‐1.15) and 0.10 (90%CI, 0.95‐1.04) for pitavastatin and 1.15 (90%CI, 1.06‐1.25) and 1.06 (0.99‐1.14) for valsartan, respectively. The geometric mean ratios (90%CIs) for area under the concentration‐time curve from time 0 to the last measurable time point and Cmax of both drugs were included in the bioequivalence criteria. In conclusion, the FDC of pitavastatin/valsartan 4/160 mg showed pharmacokinetic equivalence with the corresponding individual components.
Phase I Study of the Pharmacodynamics and Safety of Sodium Zirconium Cyclosilicate in Healthy Chinese Adults
Authors: Cheung Tommy , Sun Fang , Zhao June , Qin Yulin , Någård Mats
Published: January 2022

Sodium zirconium cyclosilicate (SZC) is an effective potassium binder for patients with hyperkalemia. This single‐center, open‐label, phase I study (NCT03283267) characterized the pharmacodynamics and safety of SZC in Chinese individuals. Twenty‐two healthy Chinese adults (mean age, 33.5 years) randomized 1:1 received daily oral SZC 5 or 10 g for 4 days, following 4 days on a low‐sodium, high‐potassium diet (continued throughout the study). End points were mean change from baseline in 24‐hour urinary potassium (primary) and sodium excretion, and serum potassium concentration. Urinary potassium excretion significantly decreased with SZC 5 g (mean change [mmol], –13.0; P < .001) and 10 g (–15.4; P < .001). Although urinary sodium excretion decreased significantly with SZC 5 g (–11.5; P = .030), there was no significant change with SZC 10 g (–5.1; P = .299). Serum potassium concentrations decreased significantly with SZC 5 g (–0.14; P = .031) and 10 g (–0.20; P = .002). All treatment‐emergent adverse events were mild, and none were considered causally related to SZC. Over 4 days, the pharmacodynamics and safety of SZC were consistent in healthy Chinese adults with global studies and patients of Japanese ethnicity.
Promoted Hydrogenolysis of Furan Aldehydes to 2,5‐Dimethylfuran by Defect Engineering on Pd/NiCo2O4
Authors: Li Xiang , Zhang Likang , Deng Qiang , Chen Shixia , Wang Jun , Zeng Zheling , Deng Shuguang
Published: January 2022

Catalytic hydrogenolysis of biobased furan aldehydes (i. e., 5‐methylfurfural, 5‐hydroxymethylfurfural) to 2,5‐dimethylfuran has gained extensive interest for biomass‐derived fuels and chemicals. Herein, a class of NiCo2O4‐supported palladium with considerable oxygen defects was synthesized by hydrogen plasma etching and phosphating methods. The oxygen defects not only promoted the hydrogenation of the C=O group but also enhanced the accessibility of coordinatively unsaturated metal cations with Lewis acidity for the hydrogenolysis of the C−OH group. Meanwhile, the additional Brønsted acidity in Pd/NiCo2O4‐x obtained by phosphating could further strengthen the hydrogenolysis ability by the etherification route of C−OH. Finally, Pd/NiCo2O4‐x exhibited the most effective performance with 2,5‐dimethylfuran yields of 92.9 and 90.5 % from 5‐methylfurfural and 5‐hydroxymethylfurfural, respectively. These catalytic mechanisms were confirmed by in‐situ infrared spectroscopy and control experiments. Furthermore, the catalyst showed outstanding recycling stability. This work shows powerful synergistic catalysis in the hydrogenolysis reaction by multifunctional active sites.
Enhanced Hydrogenation of Levulinic Acid over Ordered Mesoporous Alumina‐Supported Catalysts: Elucidating the Effect of Fabrication Strategy
Authors: Raguindin Reibelle Q. , Desalegn Bezawit Z. , Vishwanath Hiremath , Gebresillase Mahlet N. , Seo Jeong Gil
Published: January 2022

In this work, three types of alumina‐supported bimetallic Ni−Cu catalysts [Ni−Cu/commercial non‐ordered mesoporous alumina (CMA), Ni−Cu/ordered MA (OMA), and Ni−Cu−OMA] were prepared via different fabrication strategies and investigated in the conversion of levulinic acid (LA) into γ‐valerolactone and 2‐methyltetrahydrofuran (2‐MTHF). This study employed characterization techniques and reactions to reveal the effects of the fabrication strategy on the activities of the catalysts. It was observed that the catalysts constructed on OM supports (Ni−Cu/OMA and Ni−Cu−OMA) displayed superior catalytic performance compared to those constructed on CM supports (Ni−Cu/CMA). Specifically, Ni−Cu−OMA, which was fabricated via the one‐pot evaporation‐induced self‐assembly strategy, exhibited the best catalytic performance, achieving a complete conversion of LA and a high selectivity of 73.0 % toward 2‐MTHF in a solvent‐free reaction environment. The promising activity of Ni−Cu−OMA was ascribed to the well‐dispersed active sites within the framework of the support, the enhanced metal‐support interaction, and the highly efficient exploitation of the synergistic effect between Ni and Cu. Detailed post‐characterization techniques were also employed to highlight the outstanding stability of Ni−Cu−OMA.
A rendezvous point‐based data gathering in underwater wireless sensor networks for monitoring applications
Authors: Choudhary Monika , Goyal Nitin
Published: January 2022

In underwater wireless sensor networks (UWSNs), most of the mobile sink data gathering scheme assumes that sensor nodes are static. Also, very limited set of works aim to eliminate the data redundancy during data gathering. Moreover, the data collection latency, error rate and load have to be considered in addition to the buffer space and energy level of the nodes. Here, a mobile sink data gathering technique is designed where rendezvous points (RPs) and sojourn times are selected. The RPs, where the mobile sinks stop to gather the data, are selected based on the node density, current traffic load and energy level of nodes. The proposed scheme, that is, adaptive distributed mobile sink data gathering (ADMSDG), eliminates data redundancy even by considering mobility of all the nodes including sink node. Here, multihop data gathering is also considered to address the energy hole problem near the sink based on similarity index. To examine the result, proposed scheme and other state‐of‐the‐art schemes are implemented in NS2.30 having the same environment. Obtained results show that when proposed scheme is experimented with respect to number of nodes, the proposed ADMSDG technique achieves 18% high data collection accuracy with 5% reduced data collection delay and 5% less energy consumption. Similarly, when proposed scheme is experimented with respect to transmission range, the proposed ADMSDG technique achieves 18% high data collection accuracy with 12% reduced data collection delay and 8% less energy consumption.
Adulteration of low‐delta‐9‐tetrahydrocannabinol products with synthetic cannabinoids: Results from drug checking services
Authors: Monti Manuela Carla , Zeugin Jill , Koch Konrad , Milenkovic Natasa , Scheurer Eva , Mercer‐Chalmers‐Bender Katja
Published: January 2022

Since late 2019, low‐delta‐9‐tetrahydrocannabinol (THC) preparations adulterated with synthetic cannabinoids (SCs) have been frequently observed in Switzerland. The unawareness of users concerning the presence of SCs and the typically higher potency and toxicity of SCs, when compared with THC, can result in increased health risks. In Switzerland, low‐THC (<1%) cannabis products, except hashish, are legal. These products can act as carrier materials for SCs. In this study, cannabis samples and user self‐reports received through three drug checking services were collected and analysed, to gain deeper insight into this new phenomenon. Samples were collected from January 2020 to July 2021. Liquid chromatography coupled with high‐resolution mass spectrometry was used for the qualitative screening and semi‐quantification of SCs, while gas chromatography with flame ionization detector was applied for the quantification of THC and cannabidiol levels. Reported adverse effects were compared between users who consumed adulterated (SC‐group) and non‐adulterated (THC‐group) products. Of a total 94 samples, 50% contained up to three different SCs. MDMB‐4en‐PINACA was most often detected. All adulterated cannabis flowers contained ≤1% THC. Adulterated hashish also typically presented low THC‐levels (median: 0.8%). The SC‐group was associated with higher numbers of adverse events (p = 0.041). Furthermore, psychologic (p = 0.0007) and cardiologic (p = 0.020) adverse effects were more profound in the SC‐group than in the THC‐group. Drug checking services enabled the timely detection and monitoring of new and potentially dangerous trends. Furthermore, due to user‐reports, additional valuable information was gained on adverse events associated with the consumption of novel SCs.
Antemortem and postmortem rodenticide analysis in forensic toxicology as a part of an LC‐MS/MS‐based multi‐target screening strategy
Authors: Arens Annabel , Teske Jörg , Klintschar Michael , Mischke Reinhard , Dziadosz Marek
Published: January 2022

Since rodenticides represent a substance group relevant in toxicological analyses, the aim of this work was the development of a complex multi‐target screening strategy for the identification with liquid chromatography–tandem mass spectrometry. A simple protein precipitation was used as the sample preparation strategy. Further, a Luna 5 μm C18 (2) 100 Å, 150 × 2 mm analytical column was applied for the separation of relevant analytes with a Shimadzu HPLC. Signal detection was performed with a SCIEX API 5500 QTrap MS/MS system. The rodenticides investigated (α‐chloralose, brodifacoum, bromadiolone, coumatetralyl, difenacoum, and warfarin) could be incorporated effectively into a multi‐target screening strategy covering about 250 substances representing different groups with a limit of detection appropriate for substance identification. The strategy can easily be modified to perform semi‐quantitative measurements for this substance group and could be supplemented by quantification based on standard addition.
Reporting racial and ethnic diversity in eating disorder research over the past 20 years
Authors: Egbert Amy H. , Hunt Rowan A. , Williams Kayla L. , Burke Natasha L. , Mathis Karen Jennings
Published: January 2022

Objective

Recent public awareness of racial and ethnic disparities has again brought to light issues of diversity, equity, and inclusion in the eating disorders field. However, empirical information on racial and ethnic representation in eating disorders research is limited, making it difficult to understand where improvements are needed.

Method

This study reviewed all studies including human participants published in the International Journal of Eating Disorders in 2000, 2010, and 2020. Differences in likelihood of reporting race and ethnicity were calculated based on study year, location, and diagnostic categories.

Results

Out of 377 manuscripts, 45.2% reported information on the race and ethnicity of study participants. Studies conducted in the United States were more likely to report (128/173), and those conducted in Europe were less likely to report (5/61) on race and ethnicity than those conducted outside of those regions. Rates of reporting increased from 2000 to 2020. White participants made up approximately 70% of the samples that reported race and ethnicity data. Hispanic participants made up approximately 10% of samples reporting race and ethnicity. Participants from all other races and ethnicities made up less than 5% each.

Discussion

Although rates of reporting race and ethnicity increased over time, most participants were White. Rates of reporting also differed by the geographical region, which may reflect variability in how information on race and ethnicity is collected across countries. More attention toward capturing the cultural background of research participants and more inclusivity in research are needed in the eating disorders field.
Surface Molecular Encapsulation with Cyclodextrin in Promoting the Activity and Stability of Fe Single‐Atom Catalyst for Oxygen Reduction Reaction
Authors: Chen Changli , Li Haijing , Chen Jingzhao , Li Dong , Chen Wenxing , Dong Juncai , Sun Mengru , Li Yujing
Published: January 2022

Fe single‐atom catalysts (Fe‐SACs) have been extensively studied as a highly efficient electrocatalyst toward the oxygen reduction reaction (ORR). Nonetheless, they suffer from stability issue induced by dissolution of Fe metal center and the OH− blocking. Herein, a surface molecular engineering strategy is developed by using β‐cyclodextrins (CDs) as a localized molecular encapsulation. The CD‐modified Fe‐SAC (Fe‐SNC‐β‐CD) shows obviously improved activity toward the ORR with 0.90 V, 4.10 and 4.09 mA cm−2 for E1/2, J0 and Jk0.9, respectively. Meanwhile, the Fe‐SNC‐β‐CD shows the excellent long‐term stability against aggressive stress and the poisoning. It is confirmed through electrochemical investigation that modification of β‐CD can, on one hand, regulate the atomic Fe coordination chemistry through the interaction between the CD and FeNx moiety, while on the other mitigate the strong adsorption of OH− and function as protective barrier against the poisoning molecules leading to enhanced ORR activity and stability for the Fe‐SACs. The molecular encapsulation strategy demonstrates the uniqueness of post‐pyrolysis surface molecular engineering for the design of single‐atom catalyst.
Combination of Asymmetric Organo‐ and Biocatalysis in Flow Processes and Comparison with their Analogous Batch Syntheses
Authors: Schober Lukas , Tonin Fabio , Hanefeld Ulf , Gröger Harald
Published: January 2022

A sequential‐type as well as a tandem‐type chemoenzymatic flow cascade combining an organocatalytic aldol reaction and a biocatalytic reduction to form stereoselectively a 1,3‐diol with two stereogenic centers were developed. Initially, a comprehensive screening of 24 alcohol dehydrogenases was carried out and the identified candidates were applied in different multi‐step flow cascades. All four stereoisomers of the desired 1,3‐diol product are accessible via a sequential flow approach with product formation‐related conversions of up to 76 % over two steps, isolated yields of up to 64 % and enantiomeric excess of >99 % in all cases. In addition, a tandem‐type flow process, performing both reaction steps simultaneously, was established leading to 51 % conversion with >99 % ee and 8 : 1 d.r. and representing a combination of the fields of asymmetric chemocatalysis, biocatalysis and flow chemistry.
Ensemble‐based adaptive soft sensor for fault‐tolerant biomass monitoring
Authors: Siegl Manuel , Brunner Vincent , Geier Dominik , Becker Thomas
Published: January 2022

The accuracy and precision of soft sensors depend strongly on the reliability of underlying model inputs. These inputs (particularly readings of hardware sensors) are frequently subject to faults. This study aims to develop an adaptive soft sensor capable of reliable and robust biomass concentration predictions in the presence of faulty model inputs for aPichia pastorisbioprocess. Hence, three soft sensor submodels were developed based on three independent model inputs (base addition, CO2production, and mid‐infrared spectrum). An ensemble‐based algorithm combined the submodels to form an ensemble model, that is, an adaptive soft sensor, to achieve fault‐tolerant prediction. The algorithm's basic steps are as follows: the initial determination of submodel reliability is followed by selecting appropriate submodels to generate a reliable prediction via variance‐based weighting of the submodels. The adaptive soft sensor demonstrated high robustness and accuracy in biomass prediction in the presence of multiple simulated sensor faults (RMSE = 0.43 g L−1) and multiple real sensor faults (RMSE = 0.70 g L−1).
Monitoring and measurement analysis of key indexes for the implementation of mining, dressing, backfilling, and controlling technology in coal resources—A case study of Tangshan Mine
Authors: Qiang Zhang , Yang Kang , Zhang Jixiong , Wei Yin , Liu Xianwei , Wu Zhongya , Song Weijian , Xiling Xu
Published: January 2022

Based on the mining, dressing, backfilling, and X technology framework, we proposed the key operation indexes by exploring the principle, system, and integrated process of “mining, dressing, backfilling, and controlling” technology. After that, the index monitoring method was established to further analyze the change law of key indexes and implementation effects of “mining, dressing, backfilling, and controlling” technology. The mining engineering of Tangshan mine showed that the “mining, dressing, backfilling, and controlling” technology solves the problems of gangue discharge, construction protection, and safe mining of compressed coal resources. The vertical feeding capacities and filling capacities are 337,171 and 422,428 t/year, respectively. The stress change in the filling body is consistent with the dynamic roof subsidence, with a compacting ratio of 81.3%. The average filling mass ratio (1.28) is greater than the design value (1.2). The maximum ground subsidence is 49 mm, and the deformation of the structure is controlled within the range of Level I. The research result provides evidence for the deepening of the theoretical and technical researches of “mining, dressing, backfilling, and X.” It also provides a technical reference for mines with similar geological conditions and engineering problems.
Mathematical modeling of impulse island controller to safely store the energy from high‐voltage lightning impulse
Authors: Jana Suman , Biswas Pabitra Kumar , Sain Chiranjit
Published: January 2022

Extricating the energy from lightning impulse is very difficult for researchers due to the uncontrollability of hazardous and intermittent parameters. This paper proposed a mathematical method to island the lightning impulse to provide safety for the impulse storage system. The proposed model also can intelligently force the impulse to be extricated for the conversion system of the lightning energy storage device. This islanding controller is designed to increase the efficiency and safety of the storage system. Six essential parameters, that is, breakdown voltage, current dependency, spark channel radius, spark channel conductivity, coil inductance, and coil voltage, are considered to design the mathematical model. These parameters are formulated to record the responses of the proposed controller. All the equations are validated by using state of the art experiments and prototype hardware setup. The proposed method, mathematical model, and analyzed responses may assist lightning researchers in advancing lightning energy harvesting.
Uncertainty and forecastability of regional output growth in the UK: Evidence from machine learning
Authors: Balcilar Mehmet , Gabauer David , Gupta Rangan , Pierdzioch Christian
Published: January 2022

Utilizing a machine learning technique known as random forests, we study whether regional output growth uncertainty helps to improve the accuracy of forecasts of regional output growth for 12 regions of the UK using monthly data for the period from 1970 to 2020. We use a stochastic volatility model to measure regional output growth uncertainty. We document the importance of interregional stochastic volatility spillovers and the direction of the transmission mechanism. Given this, our empirical results shed light on the contribution to forecast performance of own uncertainty associated with a particular region, output growth uncertainty of other regions, and output growth uncertainty as measured for London as well. We find that output growth uncertainty significantly improves forecast performance in several cases, where we also document cross‐regional heterogeneity in this regard.
Antimicrobial property of Pichia pastoris‐derived natto peptide against foodborne bacteria and its preservative potential to maintain pork quality during refrigerated storage
Authors: Dong Bin , Yu Cailing , Lin Yanjun , Zhou Guowen , Sun Chunlong , Wang Jun , Wu Tao
Published: January 2022

Pork spoilage caused by foodborne bacteria contamination always leads to substantial economic loss in the meat industry. The toxicity and drug resistance of chemical preservatives have raised public concerns about their safety and stability. In this study, natto peptide from Pichia pastoris was prepared using DNA recombinant technology. It showed an excellent antibacterial effect against Gram‐positive and ‐negative bacteria, with minimum inhibitory concentrations (MICs) ranging from 6 to 30 μg/ml. Of note, natto peptide exhibited low cytotoxicity and hemolytic activity. The application of natto peptide on pork during refrigerated storage dramatically decreased the growth of Staphylococcus spp., Escherichia spp., and Pseudomonas spp. The bactericidal properties remained in force when natto peptide was used in pork models contaminated with artificial bacteria. Moreover, the application of natto peptide (90 μg/ml) inhibited the increase in pH variation and drip loss, decreased the generation of total volatile basic nitrogen (TVB‐N) and thiobarbituric acid reactive substances (TBARS), and maintained a high sensory quality score during pork storage. These results implied that P. pastoris‐derived natto peptide could extend the storage time of pork, and it has the potential to be a promising antiseptic biopreservative to replace chemical preservatives.
High‐definition transcranial direct current stimulation of the occipital cortices induces polarity dependent effects within the brain regions serving attentional reorientation
Authors: Arif Yasra , Embury Christine M. , Spooner Rachel K. , Okelberry Hannah J. , Willett Madelyn P. , Eastman Jacob A. , Wilson Tony W.
Published: January 2022

Numerous brain stimulation studies have targeted the posterior parietal cortex, a key hub of the attention network, to manipulate attentional reorientation. However, the impact of stimulating brain regions earlier in the pathway, including early visual regions, is poorly understood. In this study, 28 healthy adults underwent three high‐definition transcranial direct current stimulation (HD‐tDCS) visits (i.e., anodal, cathodal, and sham). During each visit, they completed 20 min of occipital HD‐tDCS and then a modified Posner task during magnetoencephalography (MEG). MEG data were transformed into the time‐frequency domain and significant oscillatory events were imaged using a beamformer. Oscillatory response amplitude values were extracted from peak voxels in the whole‐brain maps and were statistically compared. Behaviorally, we found that the participants responded slowly when attention reallocation was needed (i.e., the validity effect), irrespective of the stimulation condition. Our neural findings indicated that cathodal HD‐tDCS was associated with significantly reduced theta validity effects in the occipital cortices, as well as reduced alpha validity effects in the left occipital and parietal cortices relative to anodal HD‐tDCS. Additionally, anodal occipital stimulation significantly increased gamma amplitude in right occipital regions relative to cathodal and sham stimulation. Finally, we also found a negative correlation between the alpha validity effect and reaction time following anodal stimulation. Our findings suggest that HD‐tDCS of the occipital cortices has a polarity dependent impact on the multispectral neural oscillations serving attentional reorientation in healthy adults, and that such effects may reflect altered local GABA concentrations in the neural circuitry serving attentional reorientation.
TAFRO syndrome with fatigue and abdominal distension as the first symptom: A case report
Authors: Zhou Bai , Tang Chao , Chen Guiyang , Jiang Tiebin , Shi Xiao , Wang Fen
Published: January 2022

TAFRO syndrome is a peculiar and rare type of multi‐centric Castleman's disease which contained a series of symptoms such as thrombocytopenia (T), anasarca (A), fever (F), reticulin fibrosis (R), and organomegaly (O). Here we provide a case of TAFRO syndrome with the manifestation of fatigue, abdominal distension, and low fever at primary diagnosis, characterized by multiple lymphadenopathy of superficial mediastinal and retroperitoneal lymph nodes, and it was finally confirmed by lymph node biopsy. The patient recovered speedy after receiving CHOP chemotherapy. In this case report, the patient has a history of dust‐exposure and hepatitis B virus infection, which may be potentially related to the disease. In addition, this case suggests the importance of pathological biopsy of complete lymph nodes in diagnostic process.
Spatial snowdrift modelling for an open natural terrain using a physically‐based linear particle distribution equation
Authors: Ohara Noriaki , He Siwei , Parsekian Andrew D. , Jones Benjamin M. , Rangel Rodrigo C. , Nichols Ian O. , Hinkel Kenneth M.
Published: January 2022

Snowdrift, which results from deposition of wind transported snow, has been primarily estimated empirically rather than using physically‐based modelling since the snow redistribution process is extremely complex. This study demonstrates a practical predictive model for snow redistribution based on the Linear Particle Distribution equation, which consists of snow surface diffusion, snow surface advection, and snow surface erosion components. Here, we focus on numerical model development and implementation for two‐dimensional natural terrains at meter‐scale resolutions with and without perforated snow fences, which has been difficult to model in a two‐dimensional field. First, a selected numerical scheme was implemented in the Snow Movement Over Open Terrain for Hydrology model platform and tested by the exact solutions under a few well‐defined boundary conditions. Then, to simulate snowdrifts around the snow detention structures in the middle of the computational domain, an equivalent solid snow fence concept was introduced and tested. The model was applied to several terrains in the Laramie Range, Wyoming, and at two sites on the North Slope of Alaska, where wind‐induced snow redistribution plays a major role. Data from Airborne Light Detection and Ranging, Ground Penetrating Radar, and Unmanned Aerial Vehicle photogrammetry were used to calibrate and validate the model. The numerical snow redistribution model effectively reproduces the observed snowdrift distributions when snow densification and snowmelt effects were minimal. The model applications illustrated that the diffusion effect generally dominated snow redistribution with limited contributions of advection and erosion effects for abrupt terrain transition and perforated object, respectively.
Atypical presentation of urethral diverticulum with calculi post mid‐urethral sling: Intraoperative diagnosis and management
Authors: Reaves Simone , Gao Qianhui , Mama Saifuddin
Published: January 2022

Description of a rare occurrence of a urethral diverticulum with calculi incidentally discovered during mid‐urethral sling revision.
Multiple instance learning for classifying histopathological images of the breast cancer using residual neural network
Authors: Abdelli Adel , Saouli Rachida , Djemal Khalifa , Youkana Imane
Published: January 2022

Digital histopathological images have complex textures and high variability. Thus, classifying histopathological images requires an accurate classification and recognition of the tissue components in these images. In this article, we propose a novel classification layer based on multiple instances learning (MIL). In regular convolutional neural network (CNN) a flatten or a global pooling layer is used before the fully connected layers. However, in our proposed layer, we consider each last feature map in the network as an instance that will be classified by the output layer. Then, an aggregation function will be applied to get the class of the image (bag). This mapping helps the model to classify each feature independently to catch the micro‐objects of the complex tissue images. Also, our method succeeded in achieving high accuracy without the preprocessing of the images with color normalization, stain normalization, or any other techniques. Additionally, we trained our models in two different strategies. The first one is by combining the images from all the magnification factors, and the second is by training a model for each magnification factor. We show in this work that our model outperforms several previous works on breast cancer classification.
Transitioning to virtual interaction during the COVID‐19 pandemic: Impact on the Family Connects postpartum home visiting program activity
Authors: Rybińska Anna , Best Debra L. , Goodman W. Benjamin , Bai Yu , Dodge Kenneth A.
Published: January 2022

In this paper, we analyze program activity for Family Connects (FC), an evidence‐based postpartum home‐visiting intervention, during the COVID‐19 pandemic. When the pandemic began, FC transitioned to a virtual protocol which maintains key psychosocial components of the in‐person protocol and adjusts health assessments to address the lack of in‐person contact. Program performance is contrasted for periods before the pandemic onset (April 2019–March 2020) and after the onset (April 2020–March 2021), involving 10,280 scheduled visits and 6696 visited families (46% non‐Hispanic white; 20% non‐Hispanic Black; 23% Hispanic; and 10% other race). Post‐pandemic onset, FC program participation rates were at 89.8% of pre‐pandemic levels. Home visitors observed post‐onset increases in families’ concerns about home safety but declines in families’ needs related to infant care. Community connections were facilitated for 42.9% of visited families post‐pandemic onset compared to 51.1% pre‐pandemic onset. We conclude that post‐pandemic onset virtual delivery rates of FC declined but are high enough to merit continued implementation during a period when some families will decline in‐person visits. When in‐person visits are deemed safe per public health guidelines, the findings suggest a hybrid approach that could maximize program outreach by prioritizing in‐person contact and offering virtual delivery as a second choice.
Adaptation of infant mental health services to preterm infants and their families receiving neonatal intensive care unit services during the COVID‐19 pandemic
Authors: Kelleher Jessalyn , Dempsey Jack , Takamatsu Stephanie , Paul Jennifer J. , Kent Evamaria , Dempsey Allison G.
Published: January 2022

Multiple changes and stressors at the family, hospital, and societal levels have resulted from the COVID‐19 pandemic that impact the early social environment of infants in Neonatal Intensive Care Unit (NICU) settings. This manuscript reviews these pandemic‐related adversities, including hospital‐wide visitor restrictions, mask requirements that interfere with caregiver facial expressions, parental anxiety about virus transmission, and reduced support services. We will further describe adaptations to mental health service delivery and approaches to care in the NICU to mitigate increased risk associated with pandemic‐related adversities. Adaptations include integration of technology, staff education and support, and delivery of activity kits to encourage parent–infant bonding. Data was collected as part of routine program evaluation of infant mental health services from one 50‐bed NICU setting and describes family concerns, barriers to visitation, and utilization of mental health services during the pandemic. Concerns related to COVID‐19 rarely emerged as the primary presenting issue by the families referred for infant mental health services from April through December of 2020. However, a number of families indicated that infection concerns and visitation restrictions posed significant challenges to their parenting and/or coping. There were significant discrepancies noted between the visitation patterns of families with public and private insurance. Several adaptations were developed in response to the multiple challenges and threats to infant mental health present during the COVID‐19 pandemic.
Research and scholarly methods: Propensity scores
Authors: Medaglio Dominique , Stephens‐Shields Alisa J. , Leonard Charles E.
Published: January 2022

Propensity score methods are increasingly used as a tool to control for confounding bias in pharmacoepidemiologic studies. The propensity score is a dimension reducing balancing score, creating treatment, and reference groups that have comparable distributions of measured covariates. The purpose of this methods review is to provide an overview of the use of propensity score methods, including a summary of important data assumptions, various applications of the propensity score, and how to evaluate covariate balance. This article is intended for pharmacists and researchers who wish to receive an introduction to propensity score methods and be able to engage in high‐level discussions on application and reporting.
Pharmacist role in addressing health disparities—Part 2: Strategies to move toward health equity
Authors: Osae Sharmon P. , Chastain Daniel B. , Young Henry N.
Published: January 2022

Health disparities or extreme gaps of health across different groups of people result in poor outcomes for many Americans today. Pharmacists have an important role in addressing health disparities across many populations. Contextualizing root causes of gaps in health care and outcomes and identifying potential solutions to address those root causes are important initial steps clinical pharmacists can take to combat health disparities. PubMed and Web of Science were searched to identify articles published from inception until May 9, 2021. Articles in English were screened by title and abstract for relevance to clinical pharmacists' involvement in addressing health disparities. References from identified journal articles were also screened to identify further relevant articles. Utilizing the five domains of social determinants of health (SDOH) (economic stability, neighborhood and built environment, social and community context, education access and quality, and health care access and quality), actionable interventions to pursue health equity are presented. Pharmacists are in a unique position to make positive impacts on health disparities. By remaining intentional about decreasing unconscious biases and seeing past medications to the individual to identify potential barriers, pharmacists can bolster the movement toward health equity.
In vitro cytotoxicity, macromolecular interaction and antioxidant potential of dual coated selenium nanoparticles
Authors: Shinde Vrundali , Desai Krutika
Published: January 2022

The present research focuses on synthesizing selenium nanoparticles (Se NPs) coated with Methionine and Folic acid. selenium‐methionine‐folate nanoparticles (Se‐Met‐Fa NPs) were prepared by the chemical precipitation method. These were characterized by UV–Vis spectroscopy, FTIR, X‐ray diffraction, Zeta potential, ICP‐AES, TEM, and Raman spectroscopy. The average diameter of nanoparticles was determined by TEM was 50 nm. In Vitro viability of cells exposed to Se‐Met‐Fa NPs were studied using MTT and AO/EB assay. Approximately 80% of cells were viable at 100 μg/ml concentration after 24 h of incubation, suggestive of the safety of nanoparticles. Macromolecular interaction studies were carried out with plasmid DNA and Bovine serum albumin (BSA) protein. UV–Vis Spectroscopy showed ground state complex formation of Se‐Met‐Fa NPs with BSA. Intrinsic fluorescence of BSA was quenched by Se‐met‐Fa NPs via Static quenching and was observed under Spectro‐fluorimetry. Conformational structural change in α‐Helices of BSA was observed to be 4.4% after the interaction with Se‐Met‐Fa NPs, and it was studied using CD spectroscopy. At 250 μg/ml Se‐Met‐Fa NPs prevented oxidative damage of Plasmid DNA. The total antioxidant property of Se‐Met‐Fa NPs expressed in terms of scavenging of free DPPH radicals. Ten micrograms per milliliter could inhibit 41% of DPPH, proving its scavenger role at the lowest concentration. Nanoparticles comprising antioxidant semi‐conducting cores and encapsulated by biomaterials that are highly bioavailable can be promising therapeutic agents for inflammation and oxidative stress disorders studies.
Iron dysregulation in COVID‐19 and reciprocal evolution of SARS‐CoV‐2: Natura nihil frustra facit
Authors: Gupta Yash , Maciorowski Dawid , Medernach Brian , Becker Daniel P. , Durvasula Ravi , Libertin Claudia R. , Kempaiah Prakasha
Published: January 2022

After more than a year of the COVID‐19 pandemic, SARS‐CoV‐2 infection rates with newer variants continue to devastate much of the world. Global healthcare systems are overwhelmed with high positive patient numbers. Silent hypoxia accompanied by rapid deterioration and some cases with septic shock is responsible for COVID‐19 mortality in many hospitalized patients. There is an urgent need to further understand the relationships and interplay with human host components during pathogenesis and immune evasion strategies. Currently, acquired immunity through vaccination or prior infection usually provides sufficient protection against the emerging variants of SARS‐CoV‐2 except Omicron variant requiring recent booster. New strains have shown higher viral loads and greater transmissibility with more severe disease presentations. Notably, COVID‐19 has a peculiar prognosis in severe patients with iron dysregulation and hypoxia which is still poorly understood. Studies have shown abnormally low serum iron levels in severe infection but a high iron overload in lung fibrotic tissue. Data from our in‐silico structural analysis of the spike protein sequence along with host proteolysis processing suggests that the viral spike protein fragment mimics Hepcidin and is resistant to the major human proteases. This functional spike‐derived peptide dubbed “Covidin” thus may be intricately involved with host ferroportin binding and internalization leading to dysregulated host iron metabolism. Here, we propose the possible role of this potentially allogenic mimetic hormone corresponding to severe COVID‐19 immunopathology and illustrate that this molecular mimicry is responsible for a major pathway associated with severe disease status. Furthermore, through 3D molecular modeling and docking followed by MD simulation validation, we have unraveled the likely role of Covidin in iron dysregulation in COVID‐19 patients. Our meta‐analysis suggests the Hepcidin mimetic mechanism is highly conserved among its host range as well as among all new variants to date including Omicron. Extensive analysis of current mutations revealed that new variants are becoming alarmingly more resistant to selective human proteases associated with host defense.
Characterization of the first microRNA in human CDH1 that affects cell cycle and apoptosis and indicates breast cancers progression
Authors: Gharbi Sedigheh , Mohammadi Zahra , Dezaki Maryam Saedi , Dokanehiifard Sadat , Dabiri Shahriar , Korsching Eberhard
Published: January 2022

The E‐cadherin protein (Cadherin 1, gene: CDH1), a master regulator of the human epithelial homeostasis, contributes to the epithelial‐mesenchymal transition (EMT) which confers cell migratory features to the cells. The EMT is central to many pathophysiological changes in cancer. Therefore, a better understanding of this regulatory scenario is beneficial for therapeutic regiments. The CDH1 gene is approximately 100 kbp long and consists of 16 exons with a relatively large second intron. Since none microRNA (miRNA) has been identified in CDH1 up to now we screened the CDH1 gene for promising miRNA hairpin structures in silico. Out of the 27 hairpin structures we identified, one stable RNA fold with a promising sequence motive was selected for experimental verification. The exogenous validation of the hairpin sequence was performed by transfection of HEK293T cells and the mature miRNA sequences could be verified by quantitative polymerase chain reaction. The endogenous expression of the mature miRNA provisionally named CDH1‐i2‐miR‐1 could be confirmed in two normal (HEK293T, HUVEK) and five cancer cell lines (MCF7, MDA‐MB‐231, SW480, HT‐29, A549). The functional characterization by the 3‐(4,5‐dimethylthiazol‐2‐yl)−2,5‐diphenyltetrazolium bromide assay showed a suppression of HEK293T cell proliferation. A flow cytometry‐based approach showed the ability of CDH1‐i2‐miR‐1 to arrest transfected cells on a G2/M state while annexin staining exemplified an apoptotic effect. BAX and PTEN expression levels were affected following the overexpression with the new miRNA. The in vivo expression level was assessed in 35 breast tumor tissues and their paired nonmalignant marginal part. A fourfold downregulation in the tumor specimens compared to their marginal controls could be observed. It can be concluded that the sequence of the hub gene CDH1 harbors at least one miRNA but eventually even more relevant for the pathophysiology of breast cancer.
Uncovering Clar's aromatic ‐sextet rule in the Hubbard model using Maximum Probability Domain Partitions
Authors: Van Hende Daria , Lemmens Laurent , De Baerdemacker Stijn , Van Neck Dimitri , Bultinck Patrick , Acke Guillaume
Published: January 2022

Clar's aromatic ‐sextet rule is a widely used qualitative method for assessing the electronic structure of polycyclic benzenoid hydrocarbons. Unfortunately, many of the quantum chemical concordances for this rule have a limited range of applicability. Here, we show that the fundamental probabilities associated with a distribution of electrons over domain partitions support Clar's rule in both mean‐field and static correlation regimes. In particular, domain partitions that maximize those probabilities reflect the dominance of Clar structures in the electronic structure of these molecules. These findings suggest that extending methods that aim to maximize probabilities by deforming domain partitions could lead to novel quantum chemical underpinnings for many chemical concepts.
Integrated weighted gene co‐expression network analysis reveals biomarkers associated with prognosis of high‐grade serous ovarian cancer
Authors: Wang Bo , Chao Shan , Guo Bo
Published: January 2022

Background

Ovarian cancer is the gynecologic tumor with the highest fatality rate, and high‐grade serous ovarian cancer (HGSOC) is the most common and malignant type of ovarian cancer. One important reason for the poor prognosis of HGSOC is the lack of effective diagnostic and prognostic biomarkers. New biomarkers are necessary for the improvement of treatment strategies and to ensure appropriate healthcare decisions.

Methods

To construct the co‐expression network of HGSOC samples, we applied weighted gene co‐expression network analysis (WGCNA) to assess the proteomic data obtained from the Clinical Proteomic Tumor Analysis Consortium (CPTAC), and module‐trait relationship was then analyzed and plotted in a heatmap to choose key module associated with HGSOC. Subsequently, hub genes with high connectivity in key module were identified by Cytoscape software. Furthermore, the biomarkers were selected through survival analysis, followed by evaluation using the relative operating characteristic (ROC) analysis.

Results

A total of 9 modules were identified by WGCNA, and module‐trait analysis revealed that the brown module was significantly associated with HGSOC (cor = 0.7). Ten hub genes with the highest connectivity were selected by protein‐protein interaction analysis. After survival and ROC analysis, ALB, APOB and SERPINA1 were suggested to be the biomarkers, and their protein levels were positively correlated with HGSOC prognosis.

Conclusion

We conducted the first gene co‐expression analysis using proteomic data from HGSOC samples, and found that ALB, APOB and SERPINA1 had prognostic value, which might be applied for the treatment of HGSOC in the future.