bluuebunny/crossref_metadata_2025 huggingface dataset:
Sensitive and Visual Detection of Phosgene by a TICT‐Based BODIPY Dye with 8‐(o‐Hydroxy)aniline as the Active Site
Authors: Fu Ying‐Long , Chong Yuan‐Yuan , Li Hao , Feng Wei , Song Qin‐Hua
Published: January 2021

Phosgene and its substitutes (diphosgene and triphosgene) are widely utilized as chemical industrial materials and chemical warfare agents and pose a threat to public health and environmental safety due to their extreme toxicity. Research efforts have been directed to develop selective and sensitive detection methods for phosgene and its substitutes. In this paper, we have prepared two BODIPY‐based fluorescent probes, o‐Pah and o‐Pha, which are two isomers with different active sites, ortho‐aminohydroxy (3′,4′ or 4′,3′) phenyls at meso position of BODIPY, and compared their sensing performance toward triphosgene. The probe with o‐(4′‐amino‐3′‐hydroxyl), o‐Pha, exhibits better sensing performance over the o‐(3′‐amino‐4′‐hydroxyl), o‐Pah, for instance, a lower limit of detection (LOD) (0.34 nm vs. 1.2 nm), and more rapid response (10 s vs. 200 s). Furthermore, based on the above comparative studies, a red‐fluorescence probe o‐Phae has been constructed through extending 3,5‐conjugation of o‐Pha. The probe o‐Phae displays rapid response (60 s), high sensitivity to triphosgene (LOD=0.88 nm), and high selectivity for triphosgene over relevant analytes including nitric oxide. Finally, a facile test strip for phosgene was fabricated by immobilizing o‐Phae in a polyethylene oxide membrane for sensitive (<2 ppm) and selective detection of phosgene in the gas phase.
Spin–Orbit Charge‐Transfer Intersystem Crossing in Anthracene–Perylenebisimide Compact Electron Donor–Acceptor Dyads and Triads and Photochemical Dianion Formation
Authors: Rehmat Noreen , Kurganskii Ivan V. , Mahmood Zafar , Guan Qing Lin , Zhao Jianzhang , Xing Yong Heng , Gurzadyan Gagik G. , Fedin Matvey V.
Published: January 2021

Perylenebisimide (PBI)–anthracene (AN) donor–acceptor dyads/triad were prepared to investigate spin–orbit charge‐transfer intersystem crossing (SOCT‐ISC). Molecular conformation was controlled by connecting PBI units to the 2‐ or 9‐position of the AN moiety. Steady‐state, time‐resolved transient absorption and emission spectroscopy revealed that chromophore orientation, electronic coupling, and dihedral angle between donor and acceptor exert a significant effect on the photophysical property. The dyad PBI‐9‐AN with orthogonal geometry shows weak ground‐state coupling and efficient intersystem crossing (ISC, ΦΔ=86 %) as compared with PBI‐2‐AN (ΦΔ=57 %), which has a more coplanar geometry. By nanosecond transient absorption spectroscopy, a long‐lived PBI localized triplet state was observed (τT=139 μs). Time‐resolved EPR spectroscopy demonstrated that the electron spin polarization pattern of the triplet state is sensitive to the geometry and number of AN units attached to PBI. Reversible and stepwise generation of near‐IR‐absorbing PBI radical anion (PBI−⋅) and dianion (PBI2−) was observed on photoexcitation in the presence of triethanolamine, and it was confirmed that selective photoexcitation at the near‐IR absorption bands of PBI.− is unable to produce PBI2−.
Phosphorescent Zwitterionic Pt(II) N‐Heterocyclic Allenylidene Complexes: Metallophilicity and Ionic Self‐Assembly†
Authors: Gao Qin , Peng Fei , Wang Chuanfei , Lin Jinqiang , Chang Xiaoyong , Zou Chao , Lu Wei
Published: January 2021

Main observation and conclusion

Three zwitterionic and one cationic N‐heterocyclic allenylidene (NHA) platinum(II) complexes were prepared and characterized via NMR, HR‐MS, and FT‐IR, etc. Single crystal structure analyses revealed the various intermolecular packing modes via multiple noncovalent interactions (short Pt···Pt contacts, π‐π interactions). The spectroscopic data demonstrated stability of the allenylidene metal complexes is largely ascribed to the resonance structures of zwitterionic acetylide. The zwitterionic and analogue cationic NHA Pt(II) monomers showed similar steady‐state photoluminescent properties in dilute fluid solution. Highly efficient solid‐state phosphorescent emissions (quantum yield up to 20%) of these NHA Pt(II) complexes are correlated with their dispersive metallophilic Pt···Pt interactions. HR‐MS spectrum indicated zwitterionic monomers can self‐assemble into oligomers, such as dimer, trimer and even hexamer in a mixed H2O/MeOH solvent. Meanwhile, molecular aggregates showed variable red‐shifted phosphorescence by manipulating the concentration, temperature, time and solvent in the self‐assembly of zwitterionic NHA platinum(II) complex.
Predictors of treatment benefits after enhanced external counterpulsation in patients with refractory angina pectoris
Authors: Wu Eline , Mårtensson Jan , Desta Liyew , Broström Anders
Published: January 2021

Background

Enhanced external counterpulsation (EECP) is a noninvasive treatment that can decrease limiting symptoms in patients with refractory angina pectoris (RAP). Identifying responders to EECP is important as EECP is not widely available and relatively time intensive.

Hypothesis

The effect of EECP treatment on physical capacity in patients with RAP can be predicted from baseline patient characteristics and clinical factors.

Methods

This explorative study includes all patients from a cardiology clinic who had finished one EECP treatment and a 6 min walk test pre and post EECP. Clinical data, including Canadian Cardiovascular Society (CCS) classification and left ventricular ejection fraction (LVEF), were assessed before treatment. If patients increased their 6 min walking distance (6MWD) by 10% post EECP, they were considered responders.

Results

Of the 119 patients (men = 97, 40–91 years), 49 (41.2%) were responders. Multinomial regression analysis showed that functional status (i.e., CCS class ≥3) (OR 3.10, 95% CI 1.12–8.57), LVEF <50% (OR 2.82, 95% CI 1.02–7.80), and prior performed revascularization (i.e., ≤ 1 type of intervention) (OR 2.77, 95% CI 1.06–7.20) were predictors of response to EECP (p < .05, Accuracy 63.6%). Traditional risk factors (e.g., gender, smoking, and comorbidities) did not predict response.

Conclusions

EECP treatment should be considered preferentially for patients that have a greater functional impairment, evidence of systolic left ventricular dysfunction, and exposure to fewer types of revascularization, either PCI or CABG. Improvement in 6MWD post EECP could imply improvement in physical capacity, which is a likely contributor to improved well‐being among patients with RAP.
Characterizing the growth and winter survival of commercially available and experimental genotypes of St. Augustinegrass
Authors: Moseley David O. , Trappe Jon M. , Milla‐Lewis Susana R. , Chandra Ambika , Kenworthy Kevin E. , Liu Wenwen , Patton Aaron J.
Published: January 2021

St. Augustinegrass [Stenotaphrum secundatum (Walter) Kuntze] is a commonly used warm‐season turfgrass for lawns in warm‐humid to tropical climates. Efforts to breed improved cultivars with enhanced abiotic and biotic stress tolerance are ongoing, but additional data on their growth and adaptation are needed. Twenty‐one commercially available St. Augustinegrass cultivars and eight experimental genotypes were planted in the field in Fayetteville, AR, in both 2009 and 2010 to study their stolon, leaf, and establishment characteristics, as well as winter survival. ‘Floratam’, ‘Floralawn’, ‘FX‐10’, ‘FA‐40’ (Mercedes™), ‘B12’ (Sapphire®), and WS had the highest stolon growth rate (>8.9 mm d−1), whereas ‘TR 6‐10’ (Amerishade®), ‘6‐72‐99’ (Delmar™), ‘6‐72‐182’ (Jade™), ‘6‐72‐130’ (Sunclipse™), 106G3, 106T3, and SV27 had the lowest stolon growth rate (<5.1 mm d−1). Cultivars ‘Floraverde’, Floralawn, Floratam, B12 (Sapphire), and ‘Texas Common’ were the quickest to establish. Principal component analysis (PCA) identified that cultivars with similar ploidy levels had similar growth characteristics as increasing ploidy resulted in wider and longer leaves, as well as larger stolon diameter and internode length. Cultivars considered dwarf types with short stolons or narrow‐short leaves grouped separately from cultivars with long stolons or wide‐long leaves. Genotypes VNS (Classic™), GF, VNS (Majestic™), ‘SS‐100’ (Palmetto®), ‘Raleigh’, TAES 5714, and Texas Common showed the highest winter survival and associated coverage after winter in both years. Results from this study are intended to help turfgrass breeders, turf producers, practitioners, and homeowners make informed cultivar selection decisions. Planting well‐adapted cultivars will reduce reestablishment costs from winter‐kill and ultimately increase sustainability.
Modification of ventriculo–arterial coupling by spironolactone in nonischemic dilated cardiomyopathy
Authors: Lawson Mark A. , Hansen David E. , Gupta Deepak K. , Bell Susan P. , Adkisson Douglas W. , Mallugari Ravinder R. , Sawyer Douglas B. , Ooi Henry , Kronenberg Marvin W.
Published: January 2021

Aims

We sought to clarify the role of ventriculo–arterial (V–A) coupling in the treatment of nonischemic dilated cardiomyopathy (NIDCM) by adding a mineralocorticoid receptor antagonist (MRA) to conventional anti‐failure therapy.

Methods and results

We employed cardiac magnetic resonance imaging to quantify left ventricular (LV) contractility and V–A coupling in normal subjects at rest (n = 11) and in patients with NIDCM (n = 12) before and after long term anti‐failure therapy, in which MRA was added to conventional anti‐failure therapy. After ≥6 months' treatment in NIDCM patients, LV volumes and mass decreased, and the LV ejection fraction increased from a median of 24% (17, 27) (interquartile range IQR) to 47 (42, 52) (P < 0.002), with a marked reduction in arterial elastance (Ea) from 2.89 mmHg/mL (2.34, 4.0) to 1.50 (1.29, 1.95) (P < 0.002), similar to Ea of normal subjects, 1.53 (1.34, 1.67) (P > 0.05). The V–A coupling ratio, Ea/end‐systolic elastance (single‐beat method), decreased by −1.08 (−1.96, −0.55), (P = 0.003), as did Ea/end‐systolic pressure/end‐systolic pressure ratio, −0.54 (0.35, 0.87), (P = 0.002). The preload recruitable stroke work (PRSW) increased as did PRSW indexed for Ea (both P = 0.002), which reflected ‘total circulatory performance’.

Conclusions

In NIDCM, adding MRA to conventional anti‐failure therapy markedly improved LV ejection fraction and reduced peripheral vascular resistance, due to both improved LV contractility and especially to enhanced V–A coupling, as Ea decreased to normal. Total circulatory performance was a sensitive indicator of both LV pump performance and the arterial loading conditions.
Predictive value of H2FPEF score in patients with heart failure with preserved ejection fraction
Authors: Sun Yuxi , Wang Niuniu , Li Xiao , Zhang Yanli , Yang Jie , Tse Gary , Liu Ying
Published: January 2021

Aims

The H2FPEF score is a convenient risk stratification tool for diagnosing heart failure with preserved ejection fraction (HFpEF). This study examined the value of the H2FPEF score for predicting all‐cause mortality and rehospitalization in HFpEF patients.

Methods and results

This was a retrospective cohort study of patients diagnosed with HFpEF by echocardiography at a single tertiary centre between 1 January 2015 and 30 April 2018. According to the H2FPEF score, the subjects were divided into low (0–1 points), intermediate (2–5 points), and high (6–9 points) score groups. The primary outcomes were all‐cause mortality and rehospitalization. A total of 476 patients (mean age: 70.5 ± 8.4 years, 60.7% female) were included. Of these, 47 (9.9%), 262 (55.0%), and 167 (35.1%) were classified into the low, intermediate, and high score groups, respectively. Over a mean follow‐up of 27.5 months, 63 patients (13.2%) died, and 311 patients (65.3%) were rehospitalized. The mortality rates were 3 (6.4%), 29 (11.1%), and 31 (18.6%), and the number of patients with rehospitalization was 28 (59.6%), 159 (60.7%), and 124 (74.3%) for the low, intermediate, and high score groups, respectively. Multivariate Cox regression identified H2FPEF score as an independent predictor of all‐cause mortality (hazard ratio [HR]: 1.46, 95% CI: 1.23–1.73, P < 0.0001) and rehospitalization (HR: 1.15, 95% CI: 1.08–1.22, P < 0.0001). Receiver operating characteristic (ROC) analysis demonstrated the H2FPEF score can effectively predict all‐cause mortality (AUC 0.67, 95% CI: 0.60–0.73, P < 0.0001) and rehospitalization (AUC 0.59, 95% CI: 0.54–0.65, P = 0.001) after adjusting for age and NYHA class. With a cut‐off value of 5.5, the sensitivity and specificity were 68.3% and 55.4% for all‐cause mortality and 50.5% and 66.7% for rehospitalization.

Conclusions

The H2FPEF score can be used to predict prognosis in HFpEF patients. Higher scores are associated with higher all‐cause mortality and rehospitalization.
Formation of Cisplatin Adducts with the Epigenetically Relevant Nucleobase 5‐Methylcytosine
Authors: Menke Annika , Dubini Romeo C. A. , Mayer Peter , Rovó Petra , Daumann Lena J.
Published: January 2021

With about 4 % abundance in the genome 5‐methylcytosine (5mC) is one of the most important epigenetic modifications. Change in DNA hypermethylation levels has even been linked to resistances to cisplatin treatment of cancer cells. This work aimed at the synthesis and full characterization of 5mC‐cisplatin adducts as well as for the examination of possible side‐reactions and transformations. We report the first X‐ray crystal structure of a cis‐[PtCl(5mC)(NH3)2]Cl complex and the formation of [PtCl(5mC)(NH3)2]+ and [PtCl(5mC)2(NH3)]+ with HR‐ESI mass spectrometry. Further, we explore complex formation and dynamics using 1H, 195Pt, and DOSY NMR spectroscopy. UV/Vis absorption and EPR spectroscopy also confirmed the formation of trace amounts of paramagnetic Pt‐blue species. In the process, a hemiprotonated 5mC dimer, 5mC‐5mCH+, reminiscent of the “i‐motif” in DNA tetramers, was structurally characterized.
Hydrolysis of B2pin2 over Pd/C Catalyst: High Efficiency, Mechanism, and in situ Tandem Reaction
Authors: Li Ning , Shen Jialu , Liu Xiang
Published: January 2021

A facile and effective synthesis of H2 or D2 from Pd/C catalyzed hydrolysis of B2pin2 has first been developed. Among them, B2pin2 is frequently used for borylation reaction, and has rarely been used for hydrogen evolution. The kinetic isotope effects (KIEs) and tandem reaction for diphenylacetylene and norbornene hydrogenation have confirmed both two H atoms of H2 gas are provided from H2O. This is contrary to other boron compounds hydrolysis (including NH3BH3, NaBH4), which generates H2 with only one H atom provided by water and the other one by boron compounds. Note that the hydrolysis of B2pin2 in D2O also provides an easy and useful synthesis of D2.
Modulating Prins Cyclization versus Tandem Prins Processes for the Synthesis of Hexahydro‐1H‐pyrano[3,4‐c]chromenes
Authors: Satteyyanaidu Vallabhareddy , Chandrashekhar Rapelli , Reddy B. V. Subba , Lalli Claudia
Published: January 2021

We propose the synthesis of biologically relevant hexahydro‐1H‐pyrano[3,4‐c]chromenes, via a tandem Prins/Friedels‐Crafts process, catalyzed by BF3.Et2O, starting from (E)‐ and (Z)‐5‐phenoxypent‐3‐en‐1‐ol. The diastereoselectivity of the process is controlled by the geometry of the homoallylic alcohol. We also point out that the Prins product can be obtained in high yields and good diastereoselectivity when the reaction is promoted by AlCl3 as Lewis acid in the presence of an external nucleophile.
Reactivity of Organic Geminal Diazides at Tetrahedral Carbons
Authors: Celik Ibrahim E. , Kirsch Stefan F.
Published: January 2021

Organic compounds with geminal diazide units at sp3‐hybridized carbon atoms are a widely neglected class of compounds, with regard to their synthesis and their reactivities. In the last decade, we and others started to uncover reactivity patterns with this compound class, leading to new possibilities of reaction design. This minireview covers recent developments in the field, including the generation of heterocycles through thermolysis, the reactions with nucleophilic amines, and the hydrogenation.
Calcium Carbide: Versatile Synthetic Applications, Green Methodology and Sustainability
Authors: Rodygin Konstantin S. , Ledovskaya Maria S. , Voronin Vladimir V. , Lotsman Kristina A. , Ananikov Valentine P.
Published: January 2021

Acetylene is a key building block for organic chemistry and potentially can be involved in a diverse range of synthetic transformations. However, critical analysis of practical considerations showed that application of gaseous acetylene in regular synthetic labs encounters a number of difficulties. Safety limitations due to flammable and explosive nature of gaseous acetylene and requirements for specialized high‐pressure equipment impose serious drawbacks. Typical reaction conditions involve excess of gaseous reactant, which is simply released to the atmosphere at the end of the reaction, thus generating waste and causing contamination. Calcium carbide brings a new green and sustainable wave into powerful alkyne transformations and significantly expands the repertoire of traditional acetylene chemistry. The novel trend of using calcium carbide instead of gaseous acetylene is synthetically beneficial and opens a novel reactivity for the C≡C unit. This review highlights recent advances in carbide chemistry, demonstrates its advantages and prospects in term of green synthetic approach.
Asymmetric α‐Chlorination of β‐Keto Esters Using Hypervalent Iodine‐Based Cl‐Transfer Reagents in Combination with Cinchona Alkaloid Catalysts
Authors: Stockhammer Lotte , Schörgenhumer Johannes , Mairhofer Christopher , Waser Mario
Published: January 2021

We herein report an unprecedented strategy for the asymmetric α‐chlorination of β‐keto esters with hypervalent iodine‐based Cl‐transfer reagents using simple Cinchona alkaloid catalysts. Our investigations support an α‐chlorination mechanism where the Cinchona species serves as a nucleophilic catalyst by reacting with the chlorinating agent to generate a chiral electrophilic Cl‐transfer reagent in situ. Using at least 20 mol‐% of the alkaloid catalyst allows for good yields and enantioselectivities for a variety of different β‐keto esters under operationally simple conditions.
Diastereoselective Synthesis of γ‐Lactones through Reaction of Sulfoxonium Ylides, Aldehydes, and Ketenes: Substrate Scope and Mechanistic Studies
Authors: Peraino Nicholas J. , Mondal Mukulesh , Ho Han‐Jen , Beuque Antoine , Viola Evan , Gary Melanie , Wheeler Kraig A. , Kerrigan Nessan J.
Published: January 2021

In this article, we describe the synthesis of γ‐lactones through the reaction of sulfoxonium ylides, aldehydes, and disubstituted ketenes. The one‐pot sequential method provides access to γ‐lactones from disubstituted ketenes, in moderate to excellent yields, and with good diastereoselectivity favoring the trans‐diastereomer (dr up to 92 : 8). The reaction mechanism was investigated by performing labeling, crossover, and various control experiments. The results of those experiments support the reaction mechanism involving betaine formation, reaction of the betaine with a ketene to form an enolate intermediate, [3,3]‐sigmatropic rearrangement of an enolate intermediate, and finally, 5‐exo‐tet cyclization to afford the γ‐lactone product.
Allosteric Guest Binding in Chiral Zirconium(IV) Double Decker Porphyrin Cages
Authors: Bruekers Jeroen P. J. , Hellinghuizen Matthijs A. , Vanthuyne Nicolas , Tinnemans Paul , Gilissen Pieter J. , Buma Wybren Jan , Naubron Jean‐Valère , Crassous Jeanne , Elemans Johannes A. A. W. , Nolte Roeland J. M.
Published: January 2021

Chiral zirconium(IV) double cage sandwich complex Zr(1)2 has been synthesized in one step from porphyrin cage H21. Zr(1)2 was obtained as a racemate, which was resolved by HPLC and the enantiomers were isolated in >99.5 % ee. Their absolute configurations were assigned on the basis of X‐ray crystallography and circular dichroism spectroscopy. Vibrational circular dichroism (VCD) experiments on the enantiomers of Zr(1)2 revealed that the chirality around the zirconium center is propagated throughout the whole cage structure. The axial conformational chirality of the double cage complex displayed a VCD fingerprint similar to the one observed previously for a related chiral cage compound with planar and point chirality. Zr(1)2 shows fluorescence, which is quenched when viologen guests bind in its cavities. The binding of viologen and dihydroxybenzene derivatives in the two cavities of Zr(1)2 occurs with negative allostery, the cooperativity factors α (=4 K2/K1) being as low as 0.0076 for the binding of N,N’‐dimethylviologen. These allosteric effects are attributed to a pinching of the second cavity as a result of guest binding in the first cavity.
Characteristics of pain in patients with pituitary adenomas: A cross‐sectional study
Authors: Dallel Sarah , Devoize Laurent , Tauveron Igor , Pereira Bruno , Clavelou Pierre , Maqdasy Salwan , Moisset Xavier , Dallel Radhouane
Published: January 2021

Background

This study determines the prevalence and particularities of headache and pain with neuropathic characteristics (NC) in a large French group of patients with pituitary adenoma (PA).

Methods

Analysis of validated self‐administered questionnaires, radiological characteristics and treatment strategies of PA was performed.

Results

Of the 221 sent questionnaires, 146 could be used for statistical analysis, 50% of which were completed by women. Among responders, 58.9% had pain: 30.1% migraine, 15.7% pain with NC and 13.1% other types of pain. Migraine was more common in patients with PA than in the general population (30.1% vs. 21.3%, p = .010) and attacks received appropriate treatment for less than 20% of these patients. Furthermore, the prevalence of chronic migraine was much higher than in the general population (6.8% vs. 2.2%, p = .003). Neuropathic pain was also more frequent in PA patients than in the general population (15.8% vs. 6.9%, p < .001). Neuropathic pain was most often located in the extremities and was frequently described as an ‘electric shock’, ‘numbness’, or ‘pins‐and‐needles’. Multivariate analyses linked migraine to younger age, anxiety, pain with NC, and a visible tumour on MRI, regardless of its invasiveness or secretory nature.

Conclusions

Migraine headaches and neuropathic pain are more frequent and disabling in PA patients than in the general population. Both types of pain are comorbid in PA patients and are poorly treated. Migraine is associated with the presence of a tumour. Thus, biological mechanisms of this relationship need to be characterized to design optimal treatments for these individuals.

Significance

Migraine headaches and neuropathic pain are more common in PA patients than in the general population and are generally poorly treated. A systematic screening for migraine should be done by physicians in daily practice to provide adequate therapeutics.
Synthesis and structural/electrochemical evaluation of N, S co‐doped activated porous carbon spheres as efficient electrode material for supercapacitors
Authors: Mehare Rupali S. , Chaturvedi Vikash , Shelke Manjusha V.
Published: January 2021

Micrometer size activated porous carbon spheres doped with nitrogen and sulfur (NSAPC) are synthesized hydrothermally by using saccharose as the carbon precursor and l‐cysteine as the doping agent, followed by KOH activation. These doped porous carbon spheres possess a high specific surface area (SSA) and porosity (mainly microporous) suitable for efficient charge storage. Additionally, doping with nitrogen and sulfur significantly changes the surface chemistry. When tested as electrode material for supercapacitor, the co‐doped porous carbons outperformed the undoped carbon. NSAPC spheres show a high specific capacitance of 270 F/g at a current density of 1 A/g in 1 M H2SO4 and exhibit excellent charge‐discharge cycling stability over 5000 cycles. The enhanced electrochemical performance can be attributed to the combined effect of high specific surface area, presence of micro and mesopores along with nitrogen and sulfur heteroatoms.
A deep learning approach to rapid regional post‐event seismic damage assessment using time‐frequency distributions of ground motions
Authors: Lu Xinzheng , Xu Yongjia , Tian Yuan , Cetiner Barbaros , Taciroglu Ertugrul
Published: January 2021

Every year, earthquakes result in severe economic losses and a significant number of casualties worldwide. In limiting the losses that occur after these extreme events, timely and accurate assessment of seismic damages and mobilizing proportionate post‐event relief efforts play crucial roles. Traditional on‐site investigation generally results in prolonged evaluation windows. Several computational alternatives exist that show promise in addressing the downsides of the traditional approach. Damage estimates based on pre‐computed fragility libraries can provide near‐real time seismic damage quantification, but at present, they are coarse and involve considerable uncertainties. Estimates based on nonlinear time‐history analyses simulate the seismic response in greater detail, yet due to the computation and data requirements, their use at the regional scale is challenging. Given this perspective, herein, a rapid regional post‐event seismic damage assessment procedure based on convolutional neural network (CNN) is proposed. In this approach, an inventory of buildings, anticipated ground motion datasets, and corresponding damage levels for a region are brought together into a scenario bank. The time‐frequency distribution graphs of the ground motions, which serve as detailed visual representations of their frequency‐domain as well as time‐domain features, are generated. These data are then used to train CNN models, which could predict the damage states. The proposed methodology is verified through two numerical studies—one for an individual building, and the other, regional case, involving the buildings in the Tsinghua University campus. The results confirm that the proposed method offers prediction results with sufficient accuracy in near real‐time.
Loss of Coordinated Neutrophil Responses to the Human Fungal Pathogen, Candida albicans, in Patients With Cirrhosis
Authors: Knooihuizen Sally A.I. , Alexander Natalie J. , Hopke Alex , Barros Nicolas , Viens Adam , Scherer Allison , Atallah Natalie J. , Dagher Zeina , Irimia Daniel , Chung Raymond T. , Mansour Michael K.
Published: January 2021

Neutrophils are the most abundant white blood cell in the body and are key participants in the defense against fungal infections. Fungal infections occur often in patients with cirrhosis and are associated with increased 30‐day and 90‐day mortality. Previous studies have shown that specific neutrophil functions are abnormal in patients with cirrhosis, although the extent of neutrophil dysfunction is not well understood. We tested the ability of neutrophils from 21 hospitalized patients with cirrhosis and 23 healthy control patients to kill Candida albicans, a common fungal pathogen in patients with cirrhosis. Using an assay, we also measured the ability of neutrophils to coordinate multicellular, synchronized control of C. albicans hyphae through a process known as swarming. We found that neutrophils from patients with cirrhosis have significantly decreased fungicidal capacity compared with healthy control neutrophils (53% vs. 74%, P < 0.0001) and diminished ability to control hyphal growth normalized as a ratio to healthy control (0.22 vs. 0.65, P < 0.0001). Moreover, serum from patients with cirrhosis decreases the ability of healthy control neutrophils to kill C. albicans (from 60% to 41%, P < 0.003). Circulating concentration of the inflammatory cytokines tumor necrosis factor α, interleukin‐6, and interleukin‐8 were found to be significantly elevated in patients with cirrhosis compared to healthy controls. Following pretreatment with granulocyte‐colony stimulating factor and granulocyte‐macrophage colony‐stimulating factor, neutrophil function was restored to almost that of healthy controls. Conclusion: Our data establish profound neutrophil dysfunction against, and altered swarming to, C. albicans in patients with cirrhosis. This dysfunction can be partially reversed with cytokine augmentation ex vivo.
Prognostic Value of the CLIF‐C AD Score in Patients With Implantation of Transjugular Intrahepatic Portosystemic Shunt
Authors: Sturm Lukas , Praktiknjo Michael , Bettinger Dominik , Huber Jan P. , Volkwein Lara , Schmidt Arthur , Kaeser Rafael , Chang Johannes , Jansen Christian , Meyer Carsten , Thomas Daniel , Thimme Robert , Trebicka Jonel , Schultheiß Michael
Published: January 2021

Prognostic assessment of patients with liver cirrhosis allocated for implantation of a transjugular intrahepatic portosystemic shunt (TIPS) is a challenging task in clinical practice. The aim of our study was to assess the prognostic value of the CLIF‐C AD (Acute Decompensation) score in patients with TIPS implantation. Transplant‐free survival (TFS) and 3‐month mortality were reviewed in 880 patients who received de novo TIPS implantation for the treatment of cirrhotic portal hypertension. The prognostic value of the CLIF‐C AD score was compared with the Model for End‐Stage Liver Disease (MELD) score, Child‐Pugh score, and albumin‐bilirubin (ALBI) score using Harrell’s C concordance index. The median TFS after TIPS implantation was 40.0 (34.6‐45.4) months. The CLIF‐C AD score (c = 0.635 [0.609‐0.661]) was superior in the prediction of TFS in comparison to MELD score (c = 0.597 [0.570‐0.623], P = 0.006), Child‐Pugh score (c = 0.579 [0.552‐0.606], P < 0.001), and ALBI score (c = 0.573 [0.545‐0.600], P < 0.001). However, the CLIF‐C AD score did not perform significantly better than the MELD‐Na score (c = 0.626 [0.599‐0.653], P = 0.442). There were no profound differences in the scores’ ranking with respect to indication for TIPS implantation, stent type, or underlying liver disease. Subgroup analyses revealed that a CLIF‐C AD score >45 was a predictor of 3‐month mortality in the supposed low‐risk group of patients with a MELD score ≤12 (14.7% vs. 5.1%, P < 0.001). Conclusion: The CLIF‐C AD score is suitable for prognostic assessment of patients with cirrhotic portal hypertension receiving TIPS implantation. In the prediction of TFS, the CLIF‐C AD score is superior to MELD score, Child‐Pugh score, and ALBI score but not the MELD‐Na score.
HnRNPA2B1 promotes the proliferation of breast cancer MCF‐7 cells via the STAT3 pathway
Authors: Gao Li‐Bin , Zhu Xin‐Le , Shi Jing‐Xian , Yang Ling , Xu Zhen‐Qiang , Shi Song‐Lin
Published: January 2021

HnRNPA2/B1 is highly expressed in many tumors. However, the role of hnRNPA2/B1 in breast cancer is not clear. In this study, we found the proliferation rate was decreased after knockout of hnRNPA2/B1 by CRISPR‐CAS9 in MCF‐7 cells, as demonstrated by the reduced expression of CDK4 and p‐AKT, and the increased expression of P27. Besides this, the western blot results showed that knockout of hnRNPA2/B1 increased the rate of apoptosis and declined autophagy. By in vivo assay, we found that knockout of hnRNPA2/B1 suppressed tumor growth in a xenograft mouse model. Immunohistochemical staining results confirmed knockout of hnRNPA2/B1 impaired tumor angiogenesis, as illustrated by downregulated expression of VEGF‐A. Besides this, interacting proteins with hnRNPA2/B1 were identified by mass spectrometry and the PPI network was constructed. GO analysis suggests that the Interacting proteins are mainly enriched in the Wnt signaling pathway, tumor necrosis factor‐mediated signaling pathway, translation, and so on. We then identified hnRNPA2/B1 interacted with signal transducer and activator of transcription 3 (STAT3), as supported by the colocalization of hnRNPA2/B1 and STAT3. Meanwhile, knockout of hnRNPA2/B1 inhibited the phosphorylation of STAT3. Collectively, our results demonstrate that hnRNPA2/B1 promotes tumor cell growth in vitro and in vivo by activating the STAT3 pathway, regulating apoptosis and autophagy.
Uromodulin aggravates renal tubulointerstitial injury through activation of the complement pathway in rats
Authors: Yu Li , Pei Fei , Sun Qiaoling , Shen Fei , Yang Xiangdong , Hu Zhao , Liu Maojing
Published: January 2021

Uromodulin (Umod) is the most abundant constituent of urine in humans and exclusively found in the kidney tubular epithelium. However, the specific role of Umod in renal tubulointerstitial injury is yet to be understood. The present study was conducted with aim of investigating the potential therapeutic mechanism of Umod in the regulation of renal tubulointerstitial injury. Protein expression of Umod in renal tubular epithelial cells was measured with the conduction of Western blot analysis. Enzyme‐linked immunosorbent assay and immunofluorescence assay were performed to detect the complement activation products and the activation products of surface deposition. The expression of C1q, C2, C4, B factor, C3, C5, H factor, CD46, CD55, C3aR, and C5aR were determined with the use of reverse‐transcription quantitative polymerase chain reaction and Western blot analyses. Subsequently, the unilateral ureteral obstruction (UUO) rat model was established. Renal tubulointerstitial injury was assessed with the application of hematoxylin–eosin staining and Masson staining in rats. UUO rats and normal rats were injected with si‐NC or si‐Umod and complement inhibitor. UUO rats were observed to have serious impairment of kidney tubule, renal tubular dilation, and epithelial atrophy, with downregulated Umod and activated complement pathway. Silencing of Umod resulted in the activation of complement system while promoting interstitial fibrosis in renal tubules. Moreover, addition of complement inhibitor significantly alleviated the renal tubule injury and fibrosis. Collectively, our study suggests that silencing of Umod mediates the complement pathway, exacerbating renal tubulointerstitial injury in rats, which provides insight into the development of novel therapeutic agents for renal tubulointerstitial injury.
Osteoprotegerin is sensitive to actomyosin tension in human periodontal ligament fibroblasts
Authors: Tamashunas Andrew C. , Katiyar Aditya , Zhang Qiao , Purkayastha Purboja , Singh Pankaj K. , Chukkapalli Sasanka S. , Lele Tanmay P.
Published: January 2021

Periodontal ligament fibroblasts (PdLFs) are an elongated cell type in the periodontium with matrix and bone regulatory functions which become abnormal in periodontal disease (PD). Here we found that the normally elongated and oriented PdLF nucleus becomes rounded and loses orientation in a mouse model of PD. Using in vitro micropatterning of cultured primary PdLF cell shape, we show that PdLF elongation correlates with nuclear elongation and the presence of thicker, contractile F‐actin fibers. The rounded nuclei in mouse PD models in vivo are, therefore, indicative of reduced actomyosin tension. Inhibiting actomyosin contractility by inhibiting myosin light chain kinase, Rho kinase or myosin ATPase activity, in cultured PdLFs each consistently reduced messenger RNA levels of bone regulatory protein osteoprotegerin (OPG). Infection of cultured PdLFs with two different types of periodontal bacteria (Porphyromonas gingivalis and Fusobacterium nucleatum) failed to recapitulate the observed nuclear rounding in vivo, upregulated nonmuscle myosin II phosphorylation and downregulated OPG. Collectively, our results add support to the hypothesis that PdLF contractility becomes decreased and contributes to disease progression in PD.
Brain tumor detection and multi‐classification using advanced deep learning techniques
Authors: Sadad Tariq , Rehman Amjad , Munir Asim , Saba Tanzila , Tariq Usman , Ayesha Noor , Abbasi Rashid
Published: January 2021

A brain tumor is an uncontrolled development of brain cells in brain cancer if not detected at an early stage. Early brain tumor diagnosis plays a crucial role in treatment planning and patients' survival rate. There are distinct forms, properties, and therapies of brain tumors. Therefore, manual brain tumor detection is complicated, time‐consuming, and vulnerable to error. Hence, automated computer‐assisted diagnosis at high precision is currently in demand. This article presents segmentation through Unet architecture with ResNet50 as a backbone on the Figshare data set and achieved a level of 0.9504 of the intersection over union (IoU). The preprocessing and data augmentation concept were introduced to enhance the classification rate. The multi‐classification of brain tumors is performed using evolutionary algorithms and reinforcement learning through transfer learning. Other deep learning methods such as ResNet50, DenseNet201, MobileNet V2, and InceptionV3 are also applied. Results thus obtained exhibited that the proposed research framework performed better than reported in state of the art. Different CNN, models applied for tumor classification such as MobileNet V2, Inception V3, ResNet50, DenseNet201, NASNet and attained accuracy 91.8, 92.8, 92.9, 93.1, 99.6%, respectively. However, NASNet exhibited the highest accuracy.
Vibration analysis of carbon nanotube‐reinforced composite microbeams
Authors: Civalek Ömer , Dastjerdi Shahriar , Akbaş Şeref D. , Akgöz Bekir
Published: January 2021

In the present article, free vibration behavior of carbon nanotube‐reinforced composite (CNTRC) microbeams is investigated. Carbon nanotubes (CNTs) are distributed in a polymeric matrix with four different patterns of the reinforcement. The material properties of the CNTRC microbeams are predicted by using the rule of mixture. The microstructure‐dependent governing differential equations are derived by applying Hamilton's principle on the basis of couple stress theory and several beam theories. The obtained vibration equation is solved by using Navier's solution method. The effects of length scale parameter, length/thickness ratio, volume fraction and the reinforcement pattern of CNTs on frequencies are examined. It is observed that the biggest frequencies occur in X‐Beam while O‐Beam has the lowest ones. It is also found that the size effect is more prominent when the thickness of the beam is close to the length scale parameter and this effect nearly disappears as the thickness of the beam increases.
Modeling 2018 Ebola virus disease outbreak with Cholesky decomposition
Authors: Mouanguissa Lagès Nadège , Kamara Abdul A. , Wang Xiangjun
Published: January 2021

In this paper, we analyze a modified Susceptible‐Exposed‐Infectious‐Dead‐Recovered (SEIDR) model in the literature of the Ebola disease with uncertainties. The model is constructed using a van Kampen expansion method to have an Ebola SEIDR stochastic Fokker–Planck equation model. This model has a deterministic equation and noise covariance matrix. The basic reproduction number of the deterministic equation is calculated using the next‐generation matrix method. We prove the uniqueness and existence of the deterministic model using Lipschitz conditions and also show that it is locally asymptotically stable at it endemic equilibrium states. We constructed two equivalent stochastic differential equations (SDEs) models, whereas the Weiner process is equal to (i) the number of model equations and (ii) the number of independent changes in the model. Our aim is to solve (i) computationally using Cholesky decomposition technique with the variance–covariance matrix. Our proposed Cholesky decomposition SEIRD‐SDEs model is compared with (ii) and also with the epidemic data of the 2018 Ebola outbreak in the Democratic Republic of Congo. We also use numerical analyses to show that the importance of post‐death transmission is difficult to identify with noise terms supported by statistical hypothesis testing.
Sorption of cobalt (II) and chromium (III) ions to nitrogen‐ and sulfur‐containing polyampholyte on the basis of polyvinylchloride
Authors: Bekchanov Davron , Kawakita Hidetaka , Mukhamediev Mukhtarjan , Khushvaktov Suyun , Juraev Murod
Published: January 2021

In this article, we studied the process of obtaining nitrogen‐ and sulfur‐containing polyampholyte by chemical modification of sulphocation exchanger. Which is synthesized based on polyvinyl chloride (PVC), with polyethylenepolyamine. Besides, the PVC and synthesized ion exchange resins were characterized using different tools such as FT‐IR, scanning electron microscope, and energy‐dispersive X‐ray. Moreover, the synthesized polyampholyte was used as effective adsorbents for removing Co (II) and Cr (III) ions from aqueous solutions. The Freundlich isotherm and the pseudo‐second order kinetic model were more consistent with the removal of metal ions from aqueous solutions. In the case of Co (II) and Cr (III), the maximum adsorption capacity was 3.45 and 3.97 mmol g−1, respectively. The thermodynamic parameters of the sorption process of metal ions such as free energy (ΔG), enthalpy (ΔН), and entropy (ΔS) of the system were calculated. Furthermore, we find that the adsorption processes were spontaneous and chemisorption.
A review of liquid silicone rubber injection molding: Process variables and process modeling
Authors: Bont Matthew , Barry Carol , Johnston Stephen
Published: January 2021

Liquid silicone rubber (LSR) is an elastomer molded into critical performance components for applications in medical, power, consumer, automotive, and aerospace applications. This article reviews process behavior, material modeling, and simulation of the (LSR) injection molding process. Each phase of the LSR injection molding process is discussed, including resin handling, plastication, injection, pack and hold, and curing; and factors affecting the molding process are reviewed. Processing behavior of LSR is marked by transient interactions between curing, shear rate, temperature, pressure, and tooling. Therefore, current LSR models for curing, viscosity, pressure, and temperature are discussed. Process dynamics and material modeling are combined in LSR injection molding simulations with applications in mold design, troubleshooting process‐induced defects, and management of shear stress and non‐uniform temperatures between LSR and substrates during overmolding. Finally, case studies using commercial simulation software are presented, which have shown cavity pressure and flow front advancement within 3% of experimental values. Optimization of LSR materials, data collection, model fitting, venting, and bonding remain areas of continued interest.
Investigation of High‐Density Nitrogen Vacancy Center Ensembles Created in Electron‐Irradiated and Vacuum‐Annealed Delta‐Doped Layers
Authors: Bogdanov Sergey , Gorbachev Alexey , Radishev Dmitry , Vikharev Anatoly , Lobaev Mikhail , Bolshedvorskii Stepan , Soshenko Vladimir , Gusev Sergey , Tatarskiy Dmitry , Akimov Alexey
Published: January 2021

The creation of localized ensembles of nitrogen vacancy (NV) centers by nitrogen delta doping of chemical vapor deposition diamond with subsequent irradiation of the delta layer by an electron beam with electron energy of 200 keV and annealing at a temperature of 1200 °C is investigated. The concentration of created NV centers is determined as a function of the irradiation dose, and their spin properties are studied. The creation of 2D ensembles of NV centers with a surface density of ≈2500 μm−2 and spin coherence time T2 ≈ 33 μs is demonstrated.
Effectiveness of Magnetic Composite Material on Copper Loss Reductions and Misalignment in Copper‐Plate‐Coils for Wireless Power Transmission
Authors: Sato Mitsuhide , Endo Shun , Bu Yinggang , Mizuno Tsutomu
Published: January 2021

Wireless power transmission systems are suitable for use in charging systems for plug‐in hybrid vehicles and electric vehicles, particularly when considering safety and convenience. Wireless power transmission coils are made of litz copper wire to reduce copper losses at high frequencies. However, litz wires are expensive owing to their complicated structure and large number of manufacturing steps. Herein, a copper‐plate‐coil is proposed that can be manufactured at a low cost is proposed. A magnetic flux path control technique is also proposed to reduce copper losses. The use of a magnetic composite material for realizing magnetic flux path control technology reduces the alternative current resistance by 50%. In addition, this study reports the effects of the magnetic composite material on coupling coefficients observed during coil misalignment. © 2021 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.
Structure‐Property Relationships of ETNC and Its Salts Compared with PETNC and Its Salts
Authors: Zhou Shengren , Dong Zhen , Yang Rui , Wang Xieyang , Ye Zhiwen
Published: January 2021

Two energetic compounds, erythritol tetranitrocarbamate (ETNC) and pentaerythritol tetranitrocarbamate (PETNC), and their salts, were synthesized in three steps, characterized and compared. All synthesized compounds were characterized by IR, DSC and multinuclear NMR spectroscopy. Four compounds were further investigated by single crystal X‐ray diffraction. All nonmetal salts show extremely low mechanical sensitivity (IS≥30 J; FS≥360 N). The heats of formation were calculated using Gaussian 09, and the detonation performances were calculated using EXPLO 5. Although these nonmetal salts are lower than the neutral compounds ETNC (D: 7960 m s−1, P: 27.4 GPa) and PETNC (D: 7629 m s−1, P: 24.3 GPa), they possess high detonation performances that are better than TNT. Erythritol‐based and corresponding pentaerythritol‐based energetic materials were compared in terms of their thermostability, detonation velocity and detonation pressure. They were also compared in their respective series. ETNC and PETNC and their salts have short preparation steps and are easy to isolate in high yields, and thus have promising potential applications as explosives.
Tropical Lagrangians in toric del-Pezzo surfaces
Authors: Hicks Jeffrey
Published: January 2021

We look at how one can construct from the data of a dimer model a Lagrangian submanifold in $$(\mathbb {C}^*)^n$$

(

C

∗

)

n

whose valuation projection approximates a tropical hypersurface. Each face of the dimer corresponds to a Lagrangian disk with boundary on our tropical Lagrangian submanifold, forming a Lagrangian mutation seed. Using this we find tropical Lagrangian tori $$L_{T^2}$$

L

T
2

in the complement of a smooth anticanonical divisor of a toric del-Pezzo whose wall-crossing transformations match those of monotone SYZ fibers. An example is worked out for the mirror pair $$(\mathbb {CP}^2{\setminus } E, W), {\check{X}}_{9111}$$

(

CP

2

\
E
,
W
)

,

X
ˇ

9111

. We find a symplectomorphism of $$\mathbb {CP}^2{\setminus } E$$

CP

2

\
E

interchanging $$L_{T^2}$$

L

T
2

and a SYZ fiber. Evidence is provided that this symplectomorphism is mirror to fiberwise Fourier–Mukai transform on $${\check{X}}_{9111}$$

X
ˇ

9111

.