bluuebunny/crossref_metadata_2025 huggingface dataset:
Characterization of Products from the Aqueous-Phase Photochemical Oxidation of Benzene-Diols
Authors: Ou Yang , Nie Dongyang , Chen Hui , Ye Zhaolian , Ge Xinlei
Published: April 2021

Chemical processing in atmospheric aqueous phases, including cloud and fog drops, might be significant in reconciling the gap between observed and modeled secondary organic aerosol (SOA) properties. In this work, we conducted a relatively comprehensive investigation of the reaction products generated from the aqueous-phase photochemical oxidation of three benzene-diols (resorcinol, hydroquinone, and methoxyhydroquinone) by hydroxyl radical (·OH), triplet excited state (3C*) 3,4-dimethoxybenzaldehyde (3,4-DMB), and direct photolysis without any added oxidants. The results show that OH-initiated photo-degradation is the fastest of all the reaction systems. For the optical properties, the aqueous oxidation products generated under different reaction conditions all exhibited photo-enhancement upon illumination by simulated sunlight, and the light absorption was wavelength dependent on and increased as a function of the reaction time. The oxygen-to-carbon (O/C) ratio of the products also gradually increased against the irradiation time, indicating the persistent formation of highly oxygenated low-volatility products throughout the aging process. More importantly, aqueous-phase products from photochemical oxidation had an increased oxidative potential (OP) compared with its precursor, indicating they may more adversely impact health. The findings in this work highlight the importance of aqueous-phase photochemical oxidation, with implications for aqueous SOA formation and impacts on both the chemical properties and health effects of OA.
Eps15 Homology Domain-Containing Protein 3 Hypermethylation as a Prognostic and Predictive Marker for Colorectal Cancer
Authors: Wang Yu-Han , Chang Shih-Ching , Ansar Muhamad , Hung Chin-Sheng , Lin Ruo-Kai
Published: April 2021

Colorectal cancer (CRC) arises from chromosomal instability, resulting from aberrant hypermethylation in tumor suppressor genes. This study identified hypermethylated genes in CRC and investigated how they affect clinical outcomes. Methylation levels of specific genes were analyzed from The Cancer Genome Atlas dataset and 20 breast cancer, 16 esophageal cancer, 33 lung cancer, 15 uterine cancer, 504 CRC, and 9 colon polyp tissues and 102 CRC plasma samples from a Taiwanese cohort. In the Asian cohort, Eps15 homology domain-containing protein 3 (EHD3) had twofold higher methylation in 44.4% of patients with colonic polyps, 37.3% of plasma from CRC patients, and 72.6% of CRC tissues, which was connected to vascular invasion and high microsatellite instability. Furthermore, EHD3 hypermethylation was detected in other gastrointestinal cancers. In the Asian CRC cohort, low EHD3 mRNA expression was found in 45.1% of patients and was connected to lymph node metastasis. Multivariate Cox proportional-hazards survival analysis revealed that hypermethylation in women and low mRNA expression were associated with overall survival. In the Western CRC cohort, EHD3 hypermethylation was also connected to overall survival and lower chemotherapy and antimetabolite response rates. In conclusion, EHD3 hypermethylation contributes to the development of CRC in both Asian and Western populations.
Two New βN-Alkanoyl-5-Hydroxytryptamides with Relevant Antinociceptive Activity
Authors: Amorim Jorge Luis , Lima Fernanda Alves , Brand Ana Laura Macedo , Cunha Silvio , Rezende Claudia Moraes , Fernandes Patricia Dias
Published: April 2021

In this work, we describe a new route for the synthesis and the antinociceptive effects of two new βN-alkanoyl-5-hydroxytryptamides (named C20:0-5HT and C22:0-5HT). The antinociceptive activities were evaluated using well-known models of thermal-induced (reaction to a heated plate, the hot plate model) or chemical-induced (licking response to paw injection of formalin, capsaicin, or glutamate) nociception. The mechanism of action for C20:0-5HT and C22:0-5HT was evaluated using naloxone (opioid receptor antagonist, 1 mg/kg), atropine (muscarinic receptor antagonist, 1 mg/kg), AM251 (cannabinoid CB1 receptor antagonist, 1 mg/kg), or ondansetron (5-HT3 serotoninergic receptor antagonist, 0.5 mg/kg) 30 min prior to C20:0-5HT or C22:0-5HT. The substances both presented significant effects by reducing licking behavior induced by formalin, capsaicin, and glutamate and increasing the latency time in the hot plate model. Opioidergic, muscarinic, cannabinoid, and serotoninergic pathways seem to be involved in the antinociceptive activity since their antagonists reversed the observed effect. Opioid receptors are partially involved due to tolerant mice demonstrating less antinociception when treated with both compounds. Our data showed a quicker and simpler route for the synthesis of the new βN-alkanoyl-5-hydroxytryptamides. Both compounds demonstrated significant antinociceptive effects. These new compounds could be used as a scaffold for the synthesis of analogues with promising antinociceptive effects.
Role of VEGF Polymorphisms in the Susceptibility and Severity of Interstitial Lung Disease
Authors: Remuzgo-Martínez Sara , Genre Fernanda , Pulito-Cueto Verónica , Atienza-Mateo Belén , Mora Cuesta Víctor Manuel , Iturbe Fernández David , Fernández Rozas Sonia María , Lera-Gómez Leticia , Alonso Lecue Pilar , Ussetti María Piedad , Laporta Rosalía , Berastegui Cristina , Solé Amparo , Pérez Virginia , De Pablo Gafas Alicia , Gualillo Oreste , Cifrián José Manuel , López-Mejías Raquel , González-Gay Miguel Ángel
Published: April 2021

The search for biomarkers that can help to establish an early diagnosis and prognosis of interstitial lung disease (ILD) is of potential interest. VEGF polymorphisms have been implicated in the development of several lung disorders. Consequently, we assessed, for the first time, the role of VEGF polymorphisms in the susceptibility and severity of ILD. A total of 436 Caucasian ILD patients (244 with idiopathic interstitial pneumonias (IIPs) and 192 with non-IIP) and 536 ethnically-matched healthy controls were genotyped for VEGF rs833061, rs1570360, rs2010963, rs3025020, and rs3025039 polymorphisms by TaqMan assays. Pulmonary function tests were collected from all the patients. VEGF serum levels were determined by ELISA in a subgroup of patients. No VEGF genotype, allele, carrier, or haplotype differences were found between ILD patients and controls as well as between IIP and non-IIP patients. However, an association of rs1570360 with IIP in women and also with lung function in IIP patients was found. None of the VEGF polymorphisms were associated with VEGF levels. In conclusion, our results suggest that VEGF does not seem to play a relevant role in ILD, although rs1570360 may influence the severity of ILD in women and a worse outcome in IIP patients.
HER2-Targeted Immunotherapy and Combined Protocols Showed Promising Antiproliferative Effects in Feline Mammary Carcinoma Cell-Based Models
Authors: Gameiro Andreia , Nascimento Catarina , Correia Jorge , Ferreira Fernando
Published: April 2021

Feline mammary carcinoma (FMC) is a highly prevalent tumor, showing aggressive clinicopathological features, with HER2-positive being the most frequent subtype. While, in human breast cancer, the use of anti-HER2 monoclonal antibodies (mAbs) is common, acting by blocking the extracellular domain (ECD) of the HER2 protein and by inducing cell apoptosis, scarce information is available on use these immunoagents in FMC. Thus, the antiproliferative effects of two mAbs (trastuzumab and pertuzumab), of an antibody–drug conjugate compound (T-DM1) and of combined treatments with a tyrosine kinase inhibitor (lapatinib) were evaluated on three FMC cell lines (CAT-MT, FMCm and FMCp). In parallel, the DNA sequence of the her2 ECD (subdomains II and IV) was analyzed in 40 clinical samples of FMC, in order to identify mutations, which can lead to antibody resistance or be used as prognostic biomarkers. Results obtained revealed a strong antiproliferative effect in all feline cell lines, and a synergistic response was observed when combined therapies were performed. Additionally, the mutations found were not described as inducing resistance to therapy in breast cancer patients. Altogether, our results suggested that anti-HER2 mAbs could become useful in the treatment of FMC, particularly, if combined with lapatinib, since drug-resistance seems to be rare.
Inhibition of the Myocardin-Related Transcription Factor Pathway Increases Efficacy of Trametinib in NRAS-Mutant Melanoma Cell Lines
Authors: Appleton Kathryn M. , Palsuledesai Charuta C. , Misek Sean A. , Blake Maja , Zagorski Joseph , Gallo Kathleen A. , Dexheimer Thomas S. , Neubig Richard R.
Published: April 2021

The Ras/MEK/ERK pathway has been the primary focus of targeted therapies in melanoma; it is aberrantly activated in almost 80% of human cutaneous melanomas (≈50% BRAFV600 mutations and ≈30% NRAS mutations). While drugs targeting the MAPK pathway have yielded success in BRAFV600 mutant melanoma patients, such therapies have been ineffective in patients with NRAS mutant melanomas in part due to their cytostatic effects and primary resistance. Here, we demonstrate that increased Rho/MRTF-pathway activation correlates with high intrinsic resistance to the MEK inhibitor, trametinib, in a panel of NRAS mutant melanoma cell lines. A combination of trametinib with the Rho/MRTF-pathway inhibitor, CCG-222740, synergistically reduced cell viability in NRAS mutant melanoma cell lines in vitro. Furthermore, the combination of CCG-222740 with trametinib induced apoptosis and reduced clonogenicity in SK-Mel-147 cells, which are highly resistant to trametinib. These findings suggest a role of the Rho/MRTF-pathway in intrinsic trametinib resistance in a subset of NRAS mutant melanoma cell lines and highlight the therapeutic potential of concurrently targeting the Rho/MRTF-pathway and MEK in NRAS mutant melanomas.
Aberrant Sialylation in Cancer: Biomarker and Potential Target for Therapeutic Intervention?
Authors: Pietrobono Silvia , Stecca Barbara
Published: April 2021

Sialylation is an integral part of cellular function, governing many biological processes including cellular recognition, adhesion, molecular trafficking, signal transduction and endocytosis. Sialylation is controlled by the levels and the activities of sialyltransferases on glycoproteins and lipids. Altered gene expression of these enzymes in cancer yields to cancer-specific alterations of glycoprotein sialylation. Mounting evidence indicate that hypersialylation is closely associated with cancer progression and metastatic spread, and can be of prognostic significance in human cancer. Aberrant sialylation is not only a result of cancer, but also a driver of malignant phenotype, directly impacting key processes such as tumor cell dissociation and invasion, cell-cell and cell-matrix interactions, angiogenesis, resistance to apoptosis, and evasion of immune destruction. In this review we provide insights on the impact of sialylation in tumor progression, and outline the possible application of sialyltransferases as cancer biomarkers. We also summarize the most promising findings on the development of sialyltransferase inhibitors as potential anti-cancer treatments.
Tumor Long Interspersed Nucleotide Element-1 (LINE-1) Hypomethylation in Relation to Age of Colorectal Cancer Diagnosis and Prognosis
Authors: Akimoto Naohiko , Zhao Melissa , Ugai Tomotaka , Zhong Rong , Lau Mai Chan , Fujiyoshi Kenji , Kishikawa Junko , Haruki Koichiro , Arima Kota , Twombly Tyler S. , Zhang Xuehong , Giovannucci Edward L. , Wu Kana , Song Mingyang , Chan Andrew T. , Cao Yin , Meyerhardt Jeffrey A. , Ng Kimmie , Giannakis Marios , Väyrynen Juha P. , Nowak Jonathan A. , Ogino Shuji
Published: April 2021

Evidence indicates the pathogenic role of epigenetic alterations in early-onset colorectal cancers diagnosed before age 50. However, features of colorectal cancers diagnosed at age 50–54 (hereafter referred to as “intermediate-onset”) remain less known. We hypothesized that tumor long interspersed nucleotide element-1 (LINE-1) hypomethylation might be increasingly more common with decreasing age of colorectal cancer diagnosis. In 1356 colorectal cancers, including 28 early-onset and 66 intermediate-onset cases, the tumor LINE-1 methylation level measured by bisulfite-PCR-pyrosequencing (scaled 0 to 100) showed a mean of 63.6 (standard deviation (SD) 10.1). The mean tumor LINE-1 methylation level decreased with decreasing age (mean 64.7 (SD 10.4) in age ≥70, 62.8 (SD 9.4) in age 55–69, 61.0 (SD 10.2) in age 50–54, and 58.9 (SD 12.0) in age <50; p < 0.0001). In linear regression analysis, the multivariable-adjusted β coefficient (95% confidence interval (CI)) (vs. age ≥70) was −1.38 (−2.47 to −0.30) for age 55–69, −2.82 (−5.29 to −0.34) for age 50–54, and −4.54 (−8.24 to −0.85) for age <50 (Ptrend = 0.0003). Multivariable-adjusted hazard ratios (95% CI) for LINE-1 methylation levels of ≤45, 45–55, and 55–65 (vs. >65) were 2.33 (1.49–3.64), 1.39 (1.05–1.85), and 1.29 (1.02–1.63), respectively (Ptrend = 0.0005). In conclusion, tumor LINE-1 hypomethylation is increasingly more common with decreasing age of colorectal cancer diagnosis, suggesting a role of global DNA hypomethylation in colorectal cancer arising in younger adults.
Oxaliplatin-Induced Senescence in Colorectal Cancer Cells Depends on p14ARF-Mediated Sustained p53 Activation
Authors: Tomicic Maja T. , Krämer Franziska , Nguyen Alexandra , Schwarzenbach Christian , Christmann Markus
Published: April 2021

Senescence is an important consequence of cytostatic drug-based tumor therapy. Here we analyzed to which degree the anticancer drug oxaliplatin induces cell death, cell cycle arrest, and senescence in colorectal cancer (CRC) cells and elucidated the role of p53. Oxaliplatin treatment resulted in the G2-phase arrest in all CRC lines tested (HCT116p53+/+, HCT116p53−/−, LoVo, SW48 and SW480). Immunoblot analysis showed that within the p53-competent lines p53 and p21CIP1 are activated at early times upon oxaliplatin treatment. However, at later times, only LoVo cells showed sustained activation of the p53/p21CIP1 pathway, accompanied by a strong induction of senescence as measured by senescence-associated β-Gal staining and induction of senescence-associated secretory phenotype (SASP) factors. Opposite to LoVo, the p53/p21CIP1 response and senescence induction was much weaker in the p53-proficient SW48 and SW480 cells, which was due to deficiency for p14ARF. Thus, among lines studied only LoVo express p14ARF protein and siRNA-mediated knockdown of p14ARF significantly reduced sustained p53/p21CIP1 activation and senescence. Vice versa, ectopic p14ARF expression enhanced oxaliplatin-induced senescence in SW48 and SW480 cells. Our data show that oxaliplatin-induced senescence in CRC cells is dependent on p53 proficiency; however, a significant induction can only be observed upon p14ARF-mediated p53 stabilization.
A Review of Colorectal Cancer in Terms of Epidemiology, Risk Factors, Development, Symptoms and Diagnosis
Authors: Sawicki Tomasz , Ruszkowska Monika , Danielewicz Anna , Niedźwiedzka Ewa , Arłukowicz Tomasz , Przybyłowicz Katarzyna E.
Published: April 2021

This review article contains a concise consideration of genetic and environmental risk factors for colorectal cancer. Known risk factors associated with colorectal cancer include familial and hereditary factors and lifestyle-related and ecological factors. Lifestyle factors are significant because of the potential for improving our understanding of the disease. Physical inactivity, obesity, smoking and alcohol consumption can also be addressed through therapeutic interventions. We also made efforts to systematize available literature and data on epidemiology, diagnosis, type and nature of symptoms and disease stages. Further study of colorectal cancer and progress made globally is crucial to inform future strategies in controlling the disease’s burden through population-based preventative initiatives.
pH-Responsive Lipid Nanocapsules: A Promising Strategy for Improved Resistant Melanoma Cell Internalization
Authors: Pautu Vincent , Lepeltier Elise , Mellinger Adélie , Riou Jérémie , Debuigne Antoine , Jérôme Christine , Clere Nicolas , Passirani Catherine
Published: April 2021

Despite significant advances in melanoma therapy, low response rates and multidrug resistance (MDR) have been described, reducing the anticancer efficacy of the administered molecules. Among the causes to explain these resistances, the decreased intratumoral pH is known to potentiate MDR and to reduce the sensitivity to anticancer molecules. Nanomedicines have been widely exploited as the carriers of MDR reversing molecules. Lipid nanocapsules (LNC) are nanoparticles that have already demonstrated their ability to improve cancer treatment. Here, LNC were modified with novel copolymers that combine N-vinylpyrrolidone (NVP) to impart stealth properties and vinyl imidazole (Vim), providing pH-responsive ability to address classical chemoresistance by improving tumor cell entry. These copolymers could be post-inserted at the LNC surface, leading to the property of going from neutral charge under physiological pH to positive charge under acidic conditions. LNC modified with polymer P5 (C18H37-P(NVP21-co-Vim15)) showed in vitro pH-responsive properties characterized by an enhanced cellular uptake under acidic conditions. Moreover, P5 surface modification led to an increased biological effect by protecting the nanocarrier from opsonization by complement activation. These data suggest that pH-sensitive LNC responds to what is expected from a promising nanocarrier to target metastatic melanoma.
Successful Application of an Insole with a Metatarsal Inhibition Bar and Deep Heel Cup for Improving Gait Dysfunction in a Patient with Poor Coordination with Disrupted Corticoreticular Tracts: A Case Report
Authors: Son Su Min , Lee Jung Won , Chang Min Cheol
Published: April 2021

We report the successful management of gait dysfunction in a patient with coordination problems using an insole with a metatarsal inhibition bar (MIB) and a deep heel cup. Furthermore, we investigated the state of the neural tracts via diffusion tensor tractography (DTT). A 23-month-old boy with gait dysfunction presented with toe walking with a wide base and decreased hip flexion. Motor weakness or spasticity was not observed. Conventional brain magnetic resonance imaging did not reveal any abnormal findings, but DTT revealed disrupted bilateral corticoreticulospinal tracts (CRTs). No abnormalities were observed in the corticospinal tract or the medial lemniscus. We applied a custom-made insole with an MIB and a deep heel cup. Immediately after application, the patient’s gait pattern stabilized significantly and was nearly normalized. Our therapeutic experience indicates that the application of an insole with an MIB and deep heel cups could be beneficial for patients with coordination problems and gait dysfunction. Our DTT results showed that CRTs could be the causative brain pathology for gait dysfunction in patients with coordination problems.
Current and Future Drug and Device Therapies for Pediatric Heart Failure Patients: Potential Lessons from Adult Trials
Authors: Das Bibhuti B. , Moskowitz William B. , Butler Javed
Published: April 2021

This review discusses the potential drug and device therapies for pediatric heart failure (HF) due to reduced systolic function. It is important to realize that most drugs that are used in pediatric HF are extrapolated from adult cardiology practices or consensus guidelines based on expert opinion rather than on evidence from controlled clinical trials. It is difficult to conclude whether the drugs that are well established in adult HF trials are also beneficial for children because of tremendous heterogeneity in the mechanism of HF in children and variations in the pharmacokinetics and pharmacodynamics of drugs from birth to adolescence. The lessons learned from adult trials can guide pediatric cardiologists to design clinical trials of the newer drugs that are in the pipeline to study their efficacy and safety in children with HF. This paper’s focus is that the reader should specifically think through the pathophysiological mechanism of HF and the mode of action of drugs for the selection of appropriate pharmacotherapy. We review the drug and device trials in adults with HF to highlight the knowledge gap that exists in the pediatric HF population.
How Does the Cause of Infantile Hemiparesis Influence Other Conditioning Factors? A Preliminary Study in a Spanish Population
Authors: Palomo-Carrión Rocío , Romero-Galisteo Rita Pilar , Romay-Barrero Helena , Martínez-Galán Inés , Lirio-Romero Cristina , Pinero-Pinto Elena
Published: April 2021

Infantile hemiparesis may be associated with significant morbidity and may have a profound impact on a child’s physical and social development. Infantile hemiparesis is associated with motor dysfunction as well as additional neurologic impairments, including sensory loss, mental retardation, epilepsy, and vision, hearing, or speech impairments. The objective of this study was to analyze the association between the cause of infantile hemiparesis and birth (gestational age), age of diagnosis, and associated disorders present in children with infantile hemiparesis aged 0 to 3 years. An observational and cross-sectional study was performed. A simple and anonymous questionnaire was created ad hoc for parents of children diagnosed with infantile hemiparesis aged between 0 and 3 years about the situation regarding the diagnosis of hemiparesis, birth, cause of hemiparesis, and presence of other associated disorders. Perinatal stroke (60.1%) was the most common cause of hemiparesis, and the most typical associated disorder was epilepsy (34.2%), with the second largest percentage in this dimension corresponding to an absence of associated disorders (20.7%). The most frequent birth was “no premature” (74.1%). The mean age of diagnosis of infantile hemiparesis was registered at 8 months (IQR: 0–36). Knowing the possible association between different conditioning factors and the cause of infantile hemiparesis facilitates the prevention of severe sequelae in children and family, implementing an early comprehensive therapeutic approach in children with infantile hemiparesis.
Weight Is More Accurate than Gestational Age When Estimating the Optimal Endotracheal Tube Depth in Neonates
Authors: Liu Hsien-Kuan , Yang Yung-Ning , Tey Shu-Leei , Wu Pei-Ling , Yang San-Nan , Wu Chien-Yi
Published: April 2021

Determining the optimal endotracheal tube (ETT) depth in neonates remains challenging for neonatologists. The guideline for optimal ETT depth is based on the patients’ weight or gestational age. However, there is a discrepancy in the suggested ETT depth between these two parameters. The aim of this retrospective study was to compare the recommended weight-based and age-based formulas for optimal ETT depth and obtain the optimal reference before intubation. Participants were assigned to group 1 if the recommended ETT insertion depth based on weight was concordant with the recommended depth based on gestational age, and to group 2 if the weight and age-based depth recommendations were discordant. After exclusion, 180 patients were included in the analysis. Results indicated that the predicted ETT depth suggested by age required more adjustment than by weight (p < 0.05). Furthermore, the required adjustment in the weight-based formula was smaller than the age-based formula (p < 0.05). Multivariate linear regression analysis revealed that weight was the key factor affecting the optimal depth (p < 0.001). These results imply that when there is a discrepancy in ETT depth between the weight-based and age-based recommendation, the weight-based one will be more accurate than the age-based one.
Children with Bronchopulmonary Dysplasia-Associated Pulmonary Hypertension Treated with Pulmonary Vasodilators—The Pediatric Cardiologist Point of View
Authors: Migdał Anna , Sądel-Wieczorek Anna , Ryciak Edyta , Mirecka-Rola Alicja , Brzezińska-Rajszys Grażyna , Żuk Małgorzata
Published: April 2021

Pulmonary hypertension in children with bronchopulmonary dysplasia (BPD-PH) significantly worsens the prognosis. Pulmonary vasodilators are often used in BPD-PH but the short-term outcome of treatment is not well described. The aim of this study was to evaluate BPD-PH children diagnosed beyond 36 weeks postmenstrual age treated with pulmonary vasodilators (sildenafil, bosentan, or both) and to assess the short and long-term effect of oral pulmonary vasodilators treatment. Twenty patients were included in the study. Cardiology evaluation (WHO-FC, NTproBNP, oxygen saturation, pulmonary to systemic pressure ratio PAP/SAP) was performed at diagnosis and after treatment initiation. In the majority of patients improvement in all evaluated factors was observed. No side effects of vasodilators were observed. PH resolved in 10 patients after a mean of 21.4 months of treatment. Six patients died. The number of poor prognostic factors commonly used to assess patients with pulmonary arterial hypertension (PAH) decreased significantly during BPD-PH treatment. The influence of BPD-PH perinatal risk factors on prognosis was considered but was not confirmed. In conclusion, the treatment of BPD-PH with pulmonary vasodilators was well tolerated and led to a clinical improvement with the possibility of discontinuation without recurrence of PH. Prognostic factors used in pediatric PAH risk stratification also seem to be useful in assessing treatment efficacy and prognosis in patients with BPD-PH.
Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form
Authors: Artusio Fiora , Castellví Albert , Pisano Roberto , Gavira José A.
Published: April 2021

Agarose gels provide the ideal environment for studying the nucleation step of complex biomacromolecules under diffusion-controlled conditions. In the present paper, we characterized the influence of agarose on the nucleation of three model proteins, i.e., lysozyme, insulin, and proteinase K, as a function of the agarose concentration using a batch method set-up inside flat capillaries. By using this set-up, we were able to directly count the number of crystals in a given volume and correlate it with the amount of agarose and with the average crystal size. We also studied the crystallization behavior of proteinase K with free-interface diffusion so that batch conditions were achieved through slow diffusion of the precipitant. Thanks to the control over the protein mass transport imposed by the network, a previously unknown crystal form, P212121, was obtained, and the three-dimensional structure was determined at a 1.6 Å resolution. Overall, the versatility of agarose gels makes them ideal candidates for the preparation of microcrystalline suspensions of biopharmaceuticals with precise and reproducible crystal attributes or for the exploration of the existence of different polymorphs.
LPA-MNI: An Improved Label Propagation Algorithm Based on Modularity and Node Importance for Community Detection
Authors: Li Huan , Zhang Ruisheng , Zhao Zhili , Liu Xin
Published: April 2021

Community detection is of great significance in understanding the structure of the network. Label propagation algorithm (LPA) is a classical and effective method, but it has the problems of randomness and instability. An improved label propagation algorithm named LPA-MNI is proposed in this study by combining the modularity function and node importance with the original LPA. LPA-MNI first identify the initial communities according to the value of modularity. Subsequently, the label propagation is used to cluster the remaining nodes that have not been assigned to initial communities. Meanwhile, node importance is used to improve the node order of label updating and the mechanism of label selecting when multiple labels are contained by the maximum number of nodes. Extensive experiments are performed on twelve real-world networks and eight groups of synthetic networks, and the results show that LPA-MNI has better accuracy, higher modularity, and more reasonable community numbers when compared with other six algorithms. In addition, LPA-MNI is shown to be more robust than the traditional LPA algorithm.
A Novel Hybrid Monte Carlo Algorithm for Sampling Path Space
Authors: Pinski Francis J.
Published: April 2021

To sample from complex, high-dimensional distributions, one may choose algorithms based on the Hybrid Monte Carlo (HMC) method. HMC-based algorithms generate nonlocal moves alleviating diffusive behavior. Here, I build on an already defined HMC framework, hybrid Monte Carlo on Hilbert spaces (Beskos, et al. Stoch. Proc. Applic. 2011), that provides finite-dimensional approximations of measures π, which have density with respect to a Gaussian measure on an infinite-dimensional Hilbert (path) space. In all HMC algorithms, one has some freedom to choose the mass operator. The novel feature of the algorithm described in this article lies in the choice of this operator. This new choice defines a Markov Chain Monte Carlo (MCMC) method that is well defined on the Hilbert space itself. As before, the algorithm described herein uses an enlarged phase space Π having the target π as a marginal, together with a Hamiltonian flow that preserves Π. In the previous work, the authors explored a method where the phase space π was augmented with Brownian bridges. With this new choice, π is augmented by Ornstein–Uhlenbeck (OU) bridges. The covariance of Brownian bridges grows with its length, which has negative effects on the acceptance rate in the MCMC method. This contrasts with the covariance of OU bridges, which is independent of the path length. The ingredients of the new algorithm include the definition of the mass operator, the equations for the Hamiltonian flow, the (approximate) numerical integration of the evolution equations, and finally, the Metropolis–Hastings acceptance rule. Taken together, these constitute a robust method for sampling the target distribution in an almost dimension-free manner. The behavior of this novel algorithm is demonstrated by computer experiments for a particle moving in two dimensions, between two free-energy basins separated by an entropic barrier.
A Mixture Model of Truncated Zeta Distributions with Applications to Scientific Collaboration Networks
Authors: Jung Hohyun , Phoa Frederick Kin Hing
Published: April 2021

The degree distribution has attracted considerable attention from network scientists in the last few decades to have knowledge of the topological structure of networks. It is widely acknowledged that many real networks have power-law degree distributions. However, the deviation from such a behavior often appears when the range of degrees is small. Even worse, the conventional employment of the continuous power-law distribution usually causes an inaccurate inference as the degree should be discrete-valued. To remedy these obstacles, we propose a finite mixture model of truncated zeta distributions for a broad range of degrees that disobeys a power-law behavior in the range of small degrees while maintaining the scale-free behavior. The maximum likelihood algorithm alongside the model selection method is presented to estimate model parameters and the number of mixture components. The validity of the suggested algorithm is evidenced by Monte Carlo simulations. We apply our method to five disciplines of scientific collaboration networks with remarkable interpretations. The proposed model outperforms the other alternatives in terms of the goodness-of-fit.
Efficiency of Classical and Quantum Games Equilibria
Authors: Szopa Marek
Published: April 2021

Nash equilibria and correlated equilibria of classical and quantum games are investigated in the context of their Pareto efficiency. The examples of the prisoner’s dilemma, battle of the sexes and the game of chicken are studied. Correlated equilibria usually improve Nash equilibria of games but require a trusted correlation device susceptible to manipulation. The quantum extension of these games in the Eisert–Wilkens–Lewenstein formalism and the Frąckiewicz–Pykacz parameterization is analyzed. It is shown that the Nash equilibria of these games in quantum mixed Pauli strategies are closer to Pareto optimal results than their classical counter-parts. The relationship of mixed Pauli strategies equilibria and correlated equilibria is also studied.
Mercury Speciation in Various Coals Based on Sequential Chemical Extraction and Thermal Analysis Methods
Authors: Su Yinjiao , Liu Xuan , Teng Yang , Zhang Kai
Published: April 2021

Coal combustion is an anthropogenic source of mercury (Hg) emissions to the atmosphere. The strong toxicity and bioaccumulation potential have prompted attention to the control of mercury emissions. Pyrolysis has been regarded as an efficient Hg removal technology before coal combustion and other utilization processes. In this work, the Hg speciation in coal and its thermal stability were investigated by combined sequential chemical extraction and temperature programmed decomposition methods; the effect of coal rank on Hg speciation distribution and Hg release characteristics were clarified based on the weight loss of coal; the amount of Hg released; and the emission of sulfur-containing gases during coal pyrolysis. Five species of mercury were determined in this study: exchangeable Hg (F1), carbonate + sulfate + oxide bound Hg (F2), silicate + aluminosilicate bound Hg (F3), sulfide bound Hg (F4), and residual Hg (F5), which are quite distinct in different rank coals. Generally, Hg enriched in carbonates, sulfates, and oxides might migrate to sulfides with the transformation of minerals during the coalification process. The order of thermal stability of different Hg speciation in coal is F1 < F5 < F2 < F4 < F3. Meanwhile, the release of Hg is accompanied with sulfur gases during coal pyrolysis, which is heavily dependent on the coal rank.
Spray, Combustion, and Air Pollutant Characteristics of JP-5 for Naval Aircraft from Experimental Single-Cylinder CRDI Diesel Engine
Authors: Lee Hyungmin
Published: April 2021

This study was performed to analyze the spray, combustion, and air pollutant characteristic of JP-5 fuel for naval aircraft in a spray visualization system and a single-cylinder CRDI diesel engine that can be visualized. The analysis results of JP-5 fuel were compared with DF. The spray tip penetration of JP-5 showed diminished results as the spray developed. JP-5 had the highest ROHR and ROPR regardless of the fuel injection timings. The physicochemical characteristics of JP-5, such as its excellent vaporization and low cetane number, were analyzed to prolong the ignition delay. Overall, the longer combustion period and the lower heat loss of the DF raised the engine torque and the IMEP. JP-5 showed higher O2 and lower CO2 levels than the DF fuel. The CO emission level increased as the injection timing was advanced in two test fuels, and the CO emitted from the DF fuel, which has a longer combustion period than JP-5, turned out to be lower. NOx also reduced as the fuel injection timing was retarded, but it was discharged at a higher level in JP-5 due to the large heat release. The images from the combustion process visualization showed that the flame luminosity of DF is stronger, its ignition delay is shorter, and its combustion period is longer than that of JP-5.
A Brief Review of Gas Migration in Oilwell Cement Slurries
Authors: Tao Chengcheng , Rosenbaum Eilis , Kutchko Barbara G. , Massoudi Mehrdad
Published: April 2021

Gas migration in oil and gas wells is defined as gases and/or fluids from adjacent formations invading a freshly cemented annulus. During well completions, gas and/or fluids can migrate to zones with lower pressure or even to the surface. Static gel strength (SGS), related to the yield stress of the cement, is a widely accepted measurement used to predict and minimize gas migration. In this review article, we look at the mechanisms and some possible solutions to gas migration during oil and gas well cementing. The use of static gel strength (SGS) and experimental measurements for SGS and wellbore pressure reduction are discussed. Rheological properties, including the yield stress and the viscosity of cement slurries, are also briefly discussed. Understanding the rheological properties of cement is complex since its material properties depend on cement type, as well as the shape and size distribution of cement particles. From this brief review, it is evident that in order to reduce free water and settling of the cement particles, to lower fluid loss, and to develop compressive strength in the early stages of cementing, an optimal cement slurry design is needed. The SGS test is a standard method used in estimating the free water in the well and could be a reference for gas migration reduction for oilwell cement slurries.
Relative Permeability: A Critical Parameter in Numerical Simulations of Multiphase Flow in Porous Media
Authors: Moodie Nathan , Ampomah William , Jia Wei , McPherson Brian
Published: April 2021

Effective multiphase flow and transport simulations are a critical tool for screening, selection, and operation of geological CO2 storage sites. The relative permeability curve assumed for these simulations can introduce a large source of uncertainty. It significantly impacts forecasts of all aspects of the reservoir simulation, from CO2 trapping efficiency and phase behavior to volumes of oil, water, and gas produced. Careful consideration must be given to this relationship, so a primary goal of this study is to evaluate the impacts on CO2-EOR model forecasts of a wide range of relevant relative permeability curves, from near linear to highly curved. The Farnsworth Unit (FWU) is an active CO2-EOR operation in the Texas Panhandle and the location of our study site. The Morrow ‘B’ Sandstone, a clastic formation composed of medium to coarse sands, is the target storage formation. Results indicate that uncertainty in the relative permeability curve can impart a significant impact on model predictions. Therefore, selecting an appropriate relative permeability curve for the reservoir of interest is critical for CO2-EOR model design. If measured laboratory relative permeability data are not available, it must be considered as a significant source of uncertainty.
Analysis of Synthetic Voltage vs. Capacity Datasets for Big Data Li-ion Diagnosis and Prognosis
Authors: Dubarry Matthieu , Beck David
Published: April 2021

The development of data driven methods for Li-ion battery diagnosis and prognosis is a growing field of research for the battery community. A big limitation is usually the size of the training datasets which are typically not fully representative of the real usage of the cells. Synthetic datasets were proposed to circumvent this issue. This publication provides improved datasets for three major battery chemistries, LiFePO4, Nickel Aluminum Cobalt Oxide, and Nickel Manganese Cobalt Oxide 811. These datasets can be used for statistical or deep learning methods. This work also provides a detailed statistical analysis of the datasets. Accurate diagnosis as well as early prognosis comparable with state of the art, while providing physical interpretability, were demonstrated by using the combined information of three learnable parameters.
Automatic Generation Control Strategies in Conventional and Modern Power Systems: A Comprehensive Overview
Authors: Ullah Kaleem , Basit Abdul , Ullah Zahid , Aslam Sheraz , Herodotou Herodotos
Published: April 2021

Automatic generation control (AGC) is primarily responsible for ensuring the smooth and efficient operation of an electric power system. The main goal of AGC is to keep the operating frequency under prescribed limits and maintain the interchange power at the intended level. Therefore, an AGC system must be supplemented with modern and intelligent control techniques to provide adequate power supply. This paper provides a comprehensive overview of various AGC models in diverse configurations of the power system. Initially, the history of power system AGC models is explored and the basic operation of AGC in a multi-area interconnected power system is presented. An in-depth analysis of various control methods used to mitigate the AGC issues is provided. Application of fast-acting energy storage devices, high voltage direct current (HVDC) interconnections, and flexible AC transmission systems (FACTS) devices in the AGC systems are investigated. Furthermore, AGC systems employed in different renewable energy generation systems are overviewed and are summarized in tabulated form. AGC techniques in different configurations of microgrid and smart grid are also presented in detail. A thorough overview of various AGC issues in a deregulated power system is provided by considering the different contract scenarios. Moreover, AGC systems with an additional objective of economic dispatch is investigated and an overview of worldwide AGC practices is provided. Finally, the paper concludes with an emphasis on the prospective study in the field of AGC.
Impact of Series and Parallel Connection of Macro Fiber Composite Patches in Piezoelectric Harvester on Energy Storage
Authors: Grzybek Dariusz , Micek Piotr
Published: April 2021

A beam containing a piezoelectric layer or layers is used for piezoelectric harvesting from various processes. The structure of the beam is made by gluing the piezoelectric material on one side (unimorph) or both sides (bimorph) of a carrying substrate. Two piezoelectric layers, glued on both sides of the substrate, may be electrically parallel or series connected. This paper presents an experimental analysis of the impact of parallel and series connections of two Macro Fiber Composite (MFC) MFC patches in a bimorph on the charging of a capacitor. In experiments, the effective charging process of the capacitor was obtained both for parallel and series connection of two MFC patches. The bimorph with a parallel connection generated a larger capacitor charging power than the bimorph with a series connection in the range of voltage across the capacitor from 1 to 18 V. However, the bimorph with a series connection was more effective than a parallel connection for voltage across the charged capacitor from 18 to 20 V. The maximum capacitor charging power generated by the bimorph, in which two MFC patches were parallel connected, was 1.8 times larger than that generated by the bimorph with a series connection and was 3.3 times larger than that generated by a unimorph with one MFC patch. The impact of level of voltage across the capacitor on its discharging process has a significant meaning for the ratio of maximum power between bimorphs and between the bimorph and unimorph.
On-Line Optimization of Energy Consumption in Electromagnetic Mill Installation
Authors: Ogonowski Szymon
Published: April 2021

Milling is one of the most energy consuming stages of the value production chain in many industries. To minimize the specific energy required, new and more efficient devices and circuits are designed and dedicated optimizing control strategies are applied. This research presents the results of innovative electromagnetic mill energy consumption reduction with dedicated supervisory on-line optimizing control algorithm. The paper describes an algorithm that uses the active power measurement and searches for the minimum on the active constraints of the optimization problem. The constraints follow from the product quality, mill supply voltage and magnetic induction requirements. Algorithm performance was tested in simulations, but the main validation was performed on a semi-industrial dry grinding and classification circuit equipped with an electromagnetic mill. The results of the experiments presented in this paper show that the application of the on-line optimization algorithm allows for even a 40% reduction in the electromagnetic mill energy consumption when compared to the nominal operating point.
Quantification of the Flexibility Potential through Smart Charging of Battery Electric Vehicles and the Effects on the Future Electricity Supply System in Germany
Authors: Guthoff Felix , Klempp Nikolai , Hufendiek Kai
Published: April 2021

Electrification offers an opportunity to decarbonize the transport sector, but it might also increase the need for flexibility options in the energy system, as the uncoordinated charging process of battery electric vehicles (BEV) can lead to a demand with high simultaneity. However, coordinating BEV charging by means of smart charging control can also offer substantial flexibility potential. This potential is limited by restrictions resulting from individual mobility behavior and preferences. It cannot be assumed that storage capacity will be available at times when the impact of additional flexibility potential is highest from a systemic point of view. Hence, it is important to determine the flexibility available per vehicle in high temporal (and spatial) resolution. Therefore, in this paper a Markov-Chain Monte Carlo simulation is carried out based on a vast empirical data set to quantify mobility profiles as accurately as possible and to subsequently derive charging load profiles. An hourly flexibility potential is derived and integrated as load shift potential into a linear optimization model for the simultaneous cost-optimal calculation of the dispatch of technology options and long-term capacity planning to meet a given electricity demand. It is shown that the costs induced by BEV charging are largely determined by the profile costs from the combination of the profiles of charging load and renewable generation, and not only by the additional energy and capacity demand. If the charging process can be flexibly controlled, the storage requirement can be reduced and generation from renewable energies can be better integrated.
Assessing Insider Attacks and Privacy Leakage in Managed IoT Systems for Residential Prosumers
Authors: Marco Giuseppe De , Loia Vincenzo , Karimipour Hadis , Siano Pierluigi
Published: April 2021

The transition towards the massive penetration of Renewable Energy Resources (RESs) into the electricity system requires the implementation of the Smart Grid (SG) paradigm with innovative control systems and equipment. In this new context, Distributed Energy Resources (DERs), including renewable sources and responsive loads, should be redesigned to enable aggregators to provide ancillary services. In fact, by using the Internet of Things (IoT) systems, aggregators can explore energy usage patterns from residential users, also known as prosumers and predict their services. This is undoubtedly important especially for SGs facing the presence of several RESs, where understanding the optimal match between demand and production is desirable from several points of view. However, revealing energy patterns and information can be of concern for privacy if the entire system is not properly designed. In this article, by assuming that the security of low-level communication protocols is guaranteed, we focus our attention at higher levels, in particular at the application level of managed IoT systems used by aggregators. In this regard, we provide an overview of the best practices and outline possible privacy leakages risks along with a list of correlated attacks.