bluuebunny/crossref_metadata_2025 huggingface dataset:
Fluorine NMR Spectroscopy Enables to Quantify the Affinity Between DNA and Proteins in Cell Lysate
Authors: Welte Hannah , Sinn Pia , Kovermann Michael
Published: August 2021

The determination of the binding affinity quantifying the interaction between proteins and nucleic acids is of crucial interest in biological and chemical research. Here, we have made use of site‐specific fluorine labeling of the cold shock protein from Bacillus subtilis, BsCspB, enabling to directly monitor the interaction with single stranded DNA molecules in cell lysate. High‐resolution 19F NMR spectroscopy has been applied to exclusively report on resonance signals arising from the protein under study. We have found that this experimental approach advances the reliable determination of the binding affinity between single stranded DNA molecules and its target protein in this complex biological environment by intertwining analyses based on NMR chemical shifts, signal heights, line shapes and simulations. We propose that the developed experimental platform offers a potent approach for the identification of binding affinities characterizing intermolecular interactions in native surroundings covering the nano‐to‐micromolar range that can be even expanded to in cell applications in future studies.
Safety of the transradial approach to carotid stenting
Authors: Erben Young , Meschia James F. , Heck Donald V. , Shawl Fayaz A. , Mayorga‐Carlin Minerva , Howard George , Rosenfield Kenneth , Sorkin John D. , Brott Thomas G. , Lal Brajesh K.
Published: August 2021

Background

The multicenter prospective CREST‐2 Registry (C2R) provides recent experience in performing carotid artery stenting (CAS) for interventionists to ensure safe performance of CAS.

Objective

To determine the periprocedural safety of CAS performed using a transradial approach relative to CAS performed using a transfemoral approach.

Methods

Patients with ≥70% asymptomatic and ≥50% symptomatic carotid stenosis, ≤80 years of age and at standard or high risk for carotid endarterectomy (CEA) are eligible for the C2R. The primary endpoint was a composite of severe access‐related complications. Comparisons were made using propensity‐score matched logistic regression.

Results

The mean age of the cohort was 67.6 ± 8.2 years and 1906 (35.1%) were female. Indications for CAS included 4063 (74.9%) for primary atherosclerosis. A total of 2868 (52.8%) cases underwent CAS for asymptomatic disease. Transradial access was used in 213 (3.9%) patients. The transradial cohort had lower use of general anesthesia (1.5% vs. 6.3%, p = 0.007) and higher use of distal embolic protection (96.7% vs. 89.4%, p = 0.0004). There were no significant differences between radial and femoral access groups in terms of a composite of major access‐related complications (0% vs. 1.1%) or a composite of periprocedural stroke or death (3.3% vs. 2.4%; OR = 1.4 [confidence intervals 0.6, 3.1]; p = 0.42).

Conclusion

We found no significant differences in rates of major access‐related complications or periprocedural stroke or death with CAS performed using transradial compared to transfemoral access. Our results support incorporation of the transradial approach to clinical trials comparing CAS to other revascularization techniques.
The “locking and dragging” technique a facilitated crossover balloon occlusion technique for complex iliofemoral anatomy in transcatheter aortic valve replacement
Authors: Briguori Carlo , Scarpelli Mario
Published: August 2021

Crossover balloon occlusion technique (CBOT) has been proposed to ensure adequate closure of the arterial access used for transcatheter aortic valve replacement (TAVR). However, the CBOT performed through the contralateral femoral artery could be challenging in cases of excessively tortuous and calcified vessels or in the presence of narrow iliac carina angles. We describe a novel technique to facilitate the advancement the peripheral balloon through the contralateral femoral artery up to the target iliofemoral system in order to facilitate access site hemostasis. The present “locking and drugging” technique takes advantages from two mechanical aspects: (a) the locking of the 0.018″ wire between the vessel wall and the TAVR delivery system or the dedicated sheath, which facilitate the crossover of the balloon in the contralateral iliofemoral system, preventing its prolapse into the aorta at the carina level and (b) the dragging of the balloon advanced into the contralateral iliofemoral system during the retrieve of the TAVR delivery system or the dedicated sheath.
Tetrakis(pentafluoroethyl)gallate, [Ga(C2F5)4]−, Ionic Liquids
Authors: Biller Harry , Lerch Swantje , Tölke Katharina , Stammler Hans‐Georg , Hoge Berthold , Strassner Thomas
Published: August 2021

We synthesized new imidazolium‐based tunable aryl alkyl ionic liquids (TAAILs) with the weakly coordinating tetrakis(pentafluoroethyl)gallate anion, [Ga(C2F5)4]−. Phenyl and phenyl derivatives (2‐Me, 4‐OMe, 2,4‐F) were combined with varying alkyl chain lengths at the imidazolium core leading to TAAILs, which were investigated with regard to their viscosity, conductivity, and electrochemical window and compared to EMIM and BMIM standard cations. Remarkable low viscosities of 29 cP at 25 °C for [BMIM][Ga(C2F5)4] were achieved. However, the EMIM and BMIM gallates show electrochemical instability, releasing pentafluoroethane at a voltage of 1.5 V. The 2‐Me‐substituted gallate‐TAAILs slowly decompose over several weeks, whereas all other gallate‐TAAILs showed no decomposition at all. With electrochemical windows of up to 5.15 V and low viscosities in a range of 66–162 cP, the gallate‐TAAILs are promising candidates as electrolytes in electrochemical applications.
N‐Cyanation of Primary and Secondary Amines with Cyanobenzio‐doxolone (CBX) Reagent
Authors: Chen Zimin , Yuan Weiming
Published: August 2021

An efficient electrophilic N‐cyanation of amines with a stable and less‐toxic cyanobenziodoxole reagent towards the synthesis of cyanamides is disclosed. This synthetically practicable strategy allows the construction of a wide variety of cyanamides under very mild and simple conditions with a broad functional group compatibility, and showcases a huge potential in late‐stage modification of complex molecules.
Enantioseparation of mandelic acid and substituted derivatives by high‐performance liquid chromatography with hydroxypropyl‐β‐cyclodextrin as chiral mobile additive and evaluation of inclusion complexes by molecular dynamics
Authors: Shi Jie‐Hua , Lin Zhen‐Yi , Kou Song‐Bo , Wang Bao‐Li , Jiang Shao‐Liang
Published: August 2021

The enantioseparation and resolution mechanism of mandelic acid (MA), 4‐methoxymandelic acid (MMA), and 4‐propoxymandelic acid (PMA) were investigated by reversed‐phase high‐performance liquid chromatography (HPLC) with 2‐hydroxypropyl‐β‐cyclodextrin (HP‐β‐CD) as a chiral mobile‐phase additive and molecular dynamics simulation. The suitable chromatographic conditions for the enantioseparation of MA, MMA, and PMA were obtained. Under the selected chromatographic conditions, these enantiomers could achieve baseline separation. The results of thermodynamic parameter analysis revealed that the main driven forces for the enantioseparation of MA, MMA, and PMA could be van der Waals forces and hydrogen‐bonding interactions and the chromatographic retention of these chiral compounds was an enthalpy‐driven process. The results of the molecular simulation revealed that their chiral resolution mechanism on HP‐β‐CD was responsible for the formation of inclusion complexes of enantiomers with HP‐β‐CD with different conformations and binding energies. And the binding energy of HP‐β‐CD with (S)‐isomer was larger than that with (R)‐isomer, which is consistent with the experimental results of the first elution of (S)‐isomer. Additionally, it is also confirmed that the interaction energies included the van der Waals energy (∆Evdw), electrostatic energy (∆Eelec), polar solvation energy, and SASA energy (∆Esasa), and the separation factor (α) was closely connected with the disparity in the binding energies of optical isomers and HP‐β‐CD complexes. Meanwhile, from molecular dynamics simulation, it can be found that the ∆(∆Ebinding), (∆(∆Ebinding) = ∆Ebinding,R − ∆Ebinding,S) value was in order of MA–HP‐β‐CD complex > MMA–HP‐β‐CD complex > PMA–HP‐β‐CD complex, which was consistent with the order of Δ(ΔG) values obtained from van't Hoff plot. This indicated that the molecular dynamics simulation has predictive function for chiral resolution.
Einfluss der Holzalterung auf die Brennstoffqualität und die Verbrennungschemie in einem Scheitholzofen
Authors: Endriss Felix , Grammer Peter , Russ Michael , Thorwarth Harald
Published: August 2021

Die Studie zeigt den Einfluss der Zersetzungsprozesse bei Buchen‐ und Kiefernholz auf die Brennstoffqualität und Verbrennungschemie in einem Scheitholzofen. Insbesondere bei einer volumenbezogenen Betrachtung der aufgegebenen Holzmenge nehmen die Abbrandzeit und die Energieabgabe mit dem Zersetzungsgrad ab. Die gasförmigen Emissionen sowie die Staubemissionen ändern sich, in Abhängigkeit der Zersetzungsprozesse, nicht. Bei den hier durchgeführten Versuchen zeigten sich bei der Verbrennung von Nadelholz generell geringere gasförmige Emissionen als bei Laubholz.
Image risk as a deterrent to remedial voice: The moderating effect of proactive personality and moral identity
Authors: Oyet Mercy C. , Withey Michael J.
Published: August 2021

We examine perceptions of image risk as a determinant of remedial voice in response to experienced interpersonal mistreatment. We propose that when a voice opportunity arises, perceptions of image risk inhibit the decision to remedial voice. Further, we hypothesize that political skill, proactive personality, and moral identity attenuate the negative relationship between perceived image risk and remedial voice. Using one‐month time‐lagged data from 177 employees, we demonstrate that perceived image risk is negatively related to remedial voice and that high moral identity and high proactive personality attenuate the perceived image risk–remedial voice relationship. These findings suggest that, while perceptions of image risk may inhibit remedial voicing, the relationship is limited by individual differences.
Seed‐mediated Growth of AlloyedAg‐PdShells toward Alkyne Semi‐hydrogenation Reactions under Mild Conditions†
Authors: Zheng Yuqin , Tan Taixing , Wang Cheng
Published: August 2021

Main observation and conclusion

Ag@Ag‐Pdxcore‐shell nanocomposites with various Ag/Pd ratio were deposited on Ag nanoplates using a seed growth method. When physically loaded on C3N4, Ag@Ag‐Pd0.077/C3N4with optimized Ag/Pd ratio could accomplish high catalytic performance for the semi‐hydrogenation of phenylacetylene as well as other aliphatic (both terminal and internal alkynes) alkynes and phenylcycloalkynes containing functional groups (such as ester, hydroxyl, ethyl groups) under room temperature and 1 atm H2. The alloying and ensemble effects are used to interpret such catalytic performance.
Palladium‐CatalyzedSequential Cyclization/Functionalization of Oxime Ethers with Unactivated Vinyl Ethers for Tunable Assembly of Structurally Diverse Isoxazoles
Authors: Li Jianxiao , Lin Zidong , He Dan , Wu Wanqing , Jiang Huanfeng
Published: August 2021

Main observation and conclusion

A novel and viable palladium‐catalyzed sequential cyclization/functionalization of alkynoneO‐methyloximes with unactivated vinyl ethers under aerobic conditions was described. The structure of the products could be successfully controlled by varying the nature of the substituents of the vinyl ethers. This new approach provides a convenient and straightforward synthetic protocol for the preparation of structurally diverse 4‐(1‐alkoxyvinyl)‐isoxazoles and 4‐vinylisoxazoles in moderate to good yields with highly regioselectivity. Remarkably, this protocol can be performed on a gram scale, showing the promising application in synthetic and pharmaceutical chemistry.
Subspace clustering for panel data with interactive effects
Authors: Duan Jiangtao , Gao Wei , Qu Hao , Keung Tony NG Hon
Published: August 2021

We study a statistical model for panel data with unobservable grouped factor structures which are correlated with the regressors and whose group membership can be unknown. We assume the factor loadings belong to different subspaces and consider the subspace clustering for factor loadings. We propose a method called least‐squares subspace clustering (LSSC) to estimate the model parameters by minimizing the least‐squares distance while simultaneously performing the subspace clustering. We establish the consistency of our proposed subspace clustering method and study the asymptotic properties of our proposed estimators under certain conditions. Monte Carlo simulation studies illustrate the advantages of our proposed methodologies. To choose the subspace dimensions consistently, we use a model selection criterion. We also outline further considerations for situations when the number of subspaces and the dimensions of factors are unknown. For illustrative purposes, our proposed methods are applied to study the linkage between income and democracy across countries.
Not all long‐memory estimators are born equal: The case of nonstationary functional time series
Authors: Lin Shang Han
Published: August 2021

We study a functional version of fractionally integrated time series that covers the nonstationary case when the memory parameterdis above 0.5. We project time series, with varying levels of nonstationarity, onto a finite‐dimensional subspace. We obtain the eigenvalues and eigenfunctions that span a sample version of the dominant subspace through dynamic functional principal component analysis of the sample long‐run covariance functions. Within the context of functional autoregressive fractionally integrated moving average models, we evaluate and compare finite‐sample bias and mean‐squared error among some time‐ and frequency‐domain Hurst exponent estimators via Monte Carlo simulations. We apply the estimators to Canadian female and male life‐table death counts.
Rhythm outcomes after aortic valve surgery: Treatment and evolution of new‐onset atrial fibrillation
Authors: Xiang Bitao , Ma Wenrui , Yan Shixin , Chen Jinmiao , Li Jun , Wang Chunsheng
Published: August 2021

Background

The impact of new‐onset atrial fibrillation (AF) after aortic valve (AV) surgery on mid‐ and long‐term outcomes is under debate. Here, we sought to follow up heart rhythms after AV surgery, and to evaluate the mid‐term prognosis and effectiveness of treatment for patients with new‐onset AF.

Methods

This single‐center cohort study included 978 consecutive patients (median age, 59 years; male, 68.5%) who underwent surgical AV procedures between 2017 and 2018. All patients with postoperative new‐onset AF were treated with Class III antiarrhythmic drugs with or without electrical cardioversion (rhythm control). Status of survival, stroke, and rhythm outcomes were collected and compared between patients with and without new‐onset AF.

Results

New‐onset AF was detected in 256 (26.2%) patients. For them, postoperative survival was comparable with those without new‐onset AF (1‐year: 96.1% vs. 99.3%; adjusted P = .30), but rate of stroke was significantly higher (1‐year: 4.0% vs. 2.2%; adjusted P = .020). With rhythm control management, the 3‐month and 1‐year rates of paroxysmal or persistent AF between patients with and without new‐onset AF were 5.1% versus 1.3% and 7.5% versus 2.1%, respectively (both P < .001). Multivariate models showed that advanced age, impaired ejection fraction, new‐onset AF and discontinuation of beta‐blockers were predictors of AF at 1 year.

Conclusions

In most cases, new‐onset AF after AV surgery could be effectively converted and suppressed by rhythm control therapy. Nevertheless, new‐onset AF predisposed patients to higher risks of stroke and AF within 1 year, for whom prophylactic procedures and continuous beta‐blockers could be beneficial.
Characterization of the evolution of indigo blue by multispectral imaging
Authors: Tello Burgos Natalia , López‐Montes Ana , Valero Eva M. , Nieves Juan Luis , Blanc Mª Rosario
Published: August 2021

Indigo blue is a natural organic color from the Indigofera tinctoria plant. It is insoluble in water and does not require mordant to fix the color; therefore, due to its nature it can be considered as a pigment or dye. The identification of indigo in cultural heritage is very difficult due to the complexity of its chemical formula and the changes that it can undergo in certain conservation and exposition conditions. For this reason, characterization of possible degradation, transformation, and reaction processes is essential for its identification. In this study, multispectral imaging has been used for the first time as noninvasive technique to characterize the aging state of indigo blue using samples aged in a controlled climate chamber under extreme conditions of humidity, temperature, and light. The technique has proven to be very promising for this application, together with classification techniques based on machine learning approaches.
Cyanides, Isocyanides, and Hydrides of Zn, Cd and Hg from Metal Atom and HCN Reactions: Matrix Infrared Spectra and Electronic Structure Calculations
Authors: Li Hongmin , Tsegaw Yetsedaw A. , Andrews Lester , Trindle Carl , Cho Han‐Gook , Stüker Tony , Beckers Helmut , Riedel Sebastian
Published: August 2021

Zinc and cadmium atoms from laser ablation of the metals and mercury atoms ablated from a dental amalgam target react with HCN in excess argon during deposition at 5 K to form the MCN and MNC molecules and CN radicals. UV irradiation decreases the higher energy ZnNC isomer in favor of the lower energy ZnCN product. Cadmium and mercury atoms produce analogous MCN primary molecules. Laser ablation of metals also produces plume radiation which initiates H‐atom detachment from HCN. The freed H atom can add to CN radical to produce the HNC isomer. The argon matrix also traps the higher energy but more intensely absorbing isocyanide molecules. Further reactions with H atoms generate HMCN and HMNC hydrides, which can be observed by virtue of their C−N stretches and intense M−H stretches. Computational modeling of IR spectra and relative energies guides the identification of reaction products by providing generally reliable frequency differences within the Zn, Cd and Hg family of products, and estimating isotopic shifts using to 13C and 15N isotopic substitution for comparison with experimental data.
Does treatment preference affect outcome in a randomized trial of a mindfulness intervention versus cognitive behaviour therapy for social anxiety disorder?
Authors: Koszycki Diana , Ilton Jessica , Dowell Amelia , Bradwejn Jacques
Published: August 2021

Research suggests that treatment preference may affect outcome of randomized clinical trials, but few studies have assessed treatment preference in trials comparing different types of psychosocial interventions. This study used secondary data analysis to evaluate the impact of treatment preference in a randomized trial of a mindfulness‐based intervention adapted for social anxiety disorder (MBI‐SAD) versus cognitive behaviour group therapy (CBGT). Ninety‐seven participants who met DSM‐5 criteria for SAD were randomized. Prior to randomization, twice as many participants expressed a preference for the MBI‐SAD over CBGT. However, being allocated or not to one's preferred treatment had no impact on treatment response. Additionally, with the exception of perception of treatment credibility, treatment matching had no impact on treatment‐related variables, including treatment initiation, session attendance, homework compliance, satisfaction with treatment and perception that treatment met expectations. In sum, despite the greater preference for the mindfulness intervention in this sample of participants with SAD, we found little evidence of preference effects on our study outcomes. Findings should be viewed as preliminary and require replication.
Quantitative Proteomic Map of Enzymes and Transporters in the Human Kidney: Stepping Closer to Mechanistic Kidney Models to Define Local Kinetics
Authors: Al‐Majdoub Zubida M. , Scotcher Daniel , Achour Brahim , Barber Jill , Galetin Aleksandra , Rostami‐Hodjegan Amin
Published: August 2021

The applications of translational modeling of local drug concentrations in various organs had a sharp increase over the last decade. These are part of the model‐informed drug development initiative, adopted by the pharmaceutical industry and promoted by drug regulatory agencies. With respect to the kidney, the models serve as a bridge for understanding animal vs. human observations related to renal drug disposition and any consequential adverse effects. However, quantitative data on key drug‐metabolizing enzymes and transporters relevant for predicting renal drug disposition are limited. Using targeted and global quantitative proteomics, we determined the abundance of multiple enzymes and transporters in 20 human kidney cortex samples. Nine enzymes and 22 transporters were quantified (8 for the first time in the kidneys). In addition, > 4,000 proteins were identified and used to form an open database. CYP2B6, CYP3A5, and CYP4F2 showed comparable, but generally low expression, whereas UGT1A9 and UGT2B7 levels were the highest. Significant correlation between abundance and activity (measured by mycophenolic acid clearance) was observed for UGT1A9 (Rs = 0.65, P = 0.004) and UGT2B7 (Rs = 0.70, P = 0.023). Expression of P‐gp ≈ MATE‐1 and OATP4C1 transporters were high. Strong intercorrelations were observed between several transporters (P‐gp/MRP4, MRP2/OAT3, and OAT3/OAT4); no correlation in expression was apparent for functionally related transporters (OCT2/MATEs). This study extends our knowledge of pharmacologically relevant proteins in the kidney cortex, with implications on more prudent use of mechanistic kidney models under the general framework of quantitative systems pharmacology and toxicology.
Genome‐wide Association Study Identified Chromosome 8 Locus Associated with Medication‐Related Osteonecrosis of the Jaw
Authors: Yang Guang , Singh Sonal , McDonough Caitrin W. , Lamba Jatinder K. , Hamadeh Issam , Holliday L. Shannon , Wang Danxin , Katz Joseph , Lakatos Peter A. , Balla Bernadett , Kosa Janos P. , Pelliccioni Gian Andrea , Price Douglas K. , Van Driest Sara L. , Figg William D. , Langaee Taimour , Moreb Jan S. , Gong Yan
Published: August 2021

Medication‐related osteonecrosis of the jaw (MRONJ) is a rare but serious drug‐related adverse event. To identify pharmacogenomic markers of MRONJ associated with bisphosphonate therapy, we conducted a genomewide association study (GWAS) meta‐analysis followed by functional analysis of 5,008 individuals of European ancestry treated with bisphosphonates, which includes the largest number of MRONJ cases to date (444 cases and 4,564 controls). Discovery GWAS was performed in randomly selected 70% of the patients with cancer and replication GWAS was performed in the remaining 30% of the patients with cancer treated with intravenous bisphosphonates followed by meta‐analysis of all 3,639 patients with cancer. GWAS was also performed in 1,369 patients with osteoporosis treated with oral bisphosphonates. The lead single‐nucleotide polymorphism (SNP), rs2736308 on chromosome 8, was associated with an increased risk of MRONJ with an odds ratio (OR) of 2.71 and 95% confidence interval (CI) of 1.90–3.86 (P = 3.57*10−8) in the meta‐analysis of patients with cancer. This SNP was validated in the MRONJ GWAS in patients with osteoporosis (OR: 2.82, 95% CI: 1.55–4.09, P = 6.84*10−4). The meta‐analysis combining patients with cancer and patients with osteoporosis yielded the same lead SNP rs2736308 on chromosome 8 as the top SNP (OR: 2.74, 95% CI: 2.09–3.39, P = 9.65*10−11). This locus is associated with regulation of the BLK, CTSB, and FDFT1 genes, which had been associated with bone mineral density. FDFT1 encodes a membrane‐associated enzyme, which is implicated in the bisphosphonate pathway. This study provides insights into the potential mechanism of MRONJ.
Genetic variability for phytochemical components in fennel genotypes
Authors: Hosseini Elaheh Sadat , Majidi Mohammad Mahdi , Ehtemam Mohammad Hossein , Ghanadian Mustafa
Published: August 2021

Fennel (Foeniculum vulgare Mill.) is an important medicinal plant and has several subspecies and varieties. In this study, 20 fennel genotypes belonging to four important subspecies and/or varieties from 17 countries were evaluated for essential oil components, seed yield, and essential oil content during 2 yr (2015–2016). High genotypic variation was observed among and within subspecies and/or varieties for all the measured traits. Based on the gas chromatography–mass spectrometry analysis, transanethole (22.37–86.47%), estragole (2.47–25.86%), fenchone (4.96–19.79%), and limonene (0.53–11.87%) were detected as major essential oil components. Comparing the subspecies and/or varieties showed that the ssp. piperitum had the highest average of limonene and estragole, and the lowest average of transanethole and seed yield. Based on the principal component analysis, var. vulgare, var. dulce, and var. azoricum were categorized in one group, and ssp. piperitum was separately grouped, confirming two major separate subspecies. The highest essential oil content was observed in the second year in all the subspecies and varieties. However, the studied subspecies and/or varieties had different values of phytochemical traits across the years. The negative correlation between some essential oil components indicates that some components are isomers and it can limit the simultaneous selection of components. The high variation in the studied germplasm may be utilized to select useful samples for medicinal, industrial, and other purposes.
Production of Nitrogen‐Containing Compounds via the Conversion of Natural Microalgae from Water Blooms Catalyzed by ZrO2
Authors: Liu Li , Zhou Yingdong , Guo Lixian , Li Guiying , Hu Changwei
Published: August 2021

Utilizing the inherent high nitrogen content in natural microalgae to produce value‐added nitrogen‐containing compounds such as fatty amides and fatty nitriles is a promising method. Herein, a method for producing value‐added fatty amides and nitriles by liquefaction of natural microalgae from water blooms in n‐heptane was developed. The effects of temperature, metal oxide catalyst (ZrO2, Al2O3, TiO2, ZnO, MgO, CaO), catalyst amount, and reaction time on the preparation of value‐added nitrogen‐containing compounds were studied. Under the optimized conditions (0.3 g ZrO2, 300 °C, 6 h), the total yield of fatty amides was 6.9 wt %, and the yield of fatty nitriles was 1.9 wt %. Compared with the results obtained in the absence of ZrO2, after adding ZrO2 the total yield of fatty acids was reduced by 4.7 wt % (18.5 to 13.8 wt %), while the total yield of fatty amides only increased by 0.9 wt % (6.0 to 6.9 wt %) and fatty nitriles was increased by 1.5 wt % (0.4 to 1.9 wt %). Exploring the role of ZrO2 by using model compounds (i. e., palmitic acid and palmitamide) revealed that ZrO2 could promote the dehydration of fatty amides to form fatty nitriles, but had limited effect on the reaction of fatty acid and NH3.
Single cell multiomic analysis of T cell exhaustion in vitro
Authors: Corselli Mirko , Saksena Suraj , Nakamoto Margaret , Lomas Woodrow E. , Taylor Ian , Chattopadhyay Pratip K.
Published: August 2021

T‐cell activation is a key step in the amplification of an immune response. Over the course of an immune response, cells may be chronically stimulated, with some proportion becoming exhausted; an enormous number of molecules are involved in this process. There remain a number of questions about the process, namely: (1) what degree of heterogeneity and plasticity do T‐cells exhibit during stimulation? (2) how many unique cell states define chronic stimulation? and (3) what markers discriminate activated from exhausted cells? We addressed these questions by performing single‐cell multiomic analysis to simultaneously measure expression of 38 proteins and 399 genes in human T cells expanded in vitro. This approach allowed us to study –with unprecedented depth–how T cells change over the course of chronic stimulation. Comprehensive immunophenotypic and transcriptomic analysis at day 0 enabled a refined characterization of T‐cell maturational states and the identification of a donor‐specific subset of terminally differentiated T‐cells that would have been otherwise overlooked using canonical cell classification schema. As expected, activation downregulated naïve‐cell markers and upregulated effector molecules, proliferation regulators, co‐inhibitory and co‐stimulatory receptors. Our deep kinetic analysis further revealed clusters of proteins and genes identifying unique states of activation, defined by markers temporarily expressed upon 3 days of stimulation (PD‐1, CD69, LTA), markers constitutively expressed throughout chronic activation (CD25, GITR, LGALS1), and markers uniquely up‐regulated upon 14 days of stimulation (CD39, ENTPD1, TNFDF10); expression of these markers could be associated with the emergence of short‐lived cell types. Notably, different ratios of cells expressing activation or exhaustion markers were measured at each time point. These data reveal the high heterogeneity and plasticity of chronically stimulated T cells. Our study demonstrates the power of a single‐cell multiomic approach to comprehensively characterize T‐cells and to precisely monitor changes in differentiation, activation, and exhaustion signatures during cell stimulation.
Sphaerosiderites as sensitive recorders of non‐marine depositional and diagenetic history: Insights from the Lower Cretaceous Wealden Supergroup
Authors: Sengupta Ritwika , Robinson Stuart A. , Tosca Nicholas J.
Published: August 2021

Waterlogged, reducing soils in modern and ancient wetlands feature distinctive syndepositional to early diagenetic spherical iron carbonate concretions, known as sphaerosiderites. Sphaerosiderites are thought to record pore water elemental chemistry and local palaeoenvironmental conditions, and are widely used in palaeohydrological reconstructions throughout the Phanerozoic. The Lower Cretaceous non‐marine Wealden Supergroup of Southern England, deposited in fluvio‐lacustrine settings, contains abundant well‐preserved sphaerosiderites offering an ideal archive for unravelling the geochemistry of ancient non‐marine environments. Sphaerosiderites were characterised via multiple microanalytical techniques (SEM‐EDS, EPMA, XRD, SIMS), and show morphological and compositional heterogeneity (e.g. concentric zones of variably enriched Mn, Ca or Mg, elemental differences between cores and rims) in well‐preserved sphaerosiderites from the Ashdown and Tunbridge Wells Sand formations. The preservation of primary fabrics, lack of post‐burial cements or extensive alteration suggests these sphaerosiderites record primary palaeoenvironmental conditions. By contrast, in the Wadhurst Clay Formation, sphaerosiderites are recrystallised, potentially reflecting wide scale palaeoenvironmental changes (e.g. marine incursions). New experimental constraints on elemental uptake during siderite growth suggests that rather than reflecting pore water elemental chemistry, the elemental heterogeneity in the Wealden sphaerosiderites reflects complex parameters; variations in pH, cation concentrations, DIC, growth rate and siderite saturation state in groundwaters. At a larger scale, morphological and compositional differences between sphaerosiderites from distinct palaeosol horizons record spatial and temporal variability in local hydrogeochemistry. This suggests that the Weald Basin wetlands of the Lower Cretaceous featured a dynamic and periodically fluctuating groundwater table, where sphaerosiderites growing close to the soil surface responded rapidly to variability in physiochemical conditions, consistent with wet and warm conditions suggested by sedimentological evidence and climate model simulations. Similar morphological and compositional variability noted in other Phanerozoic sphaerosiderites suggests analogous processes operated in ancient wetlands, and that sphaerosiderites could provide a crucial tool to understand wetland dynamics in deep time.
Detection of recombinant erythropoietin biosimilar Jimaixin™ after administration in healthy subjects
Authors: Martin Laurent , Kafi Rafik , Zhou Xinmiao , Zhang Lisi , Ericsson Magnus , Marchand Alexandre
Published: August 2021

Jimaixin™ (Jintan Ltd, China) is a biosimilar of recombinant erythropoietin (rEPO) now authorized for therapeutic application in China. With a risk of abuse by athletes, a clear evaluation of its detection using the electrophoretic methods in use in antidoping laboratories was necessary. In a previous work, we showed that Jimaixin™ electrophoretic profile presented slight changes compared with the original drug (first generation rEPO) and that a spike of Jimaixin™ in urine and serum was well identified by SDS‐PAGE but with less performance by IEF‐PAGE unless a neuraminidase treatment was applied first. The aims of this research were to perform an intravenous administration of Jimaixin™ on three healthy subjects (one microdose [10 IU/kg] and three therapeutic doses [50 IU/kg]) and to evaluate the detection in urine and blood up to 7 days post administration. Analysis of the samples showed that Jimaixin™ detection was complicated by IEF‐PAGE due to the loss of the most distinctive basic isoforms. In addition, a neuraminidase treatment did not improve detection (contrary to the observations from spike experiments). On the contrary, Jimaixin™ was very efficiently detected in blood and urine by SDS‐PAGE: up to 40 h after a microdose and up to 7 days after the therapeutic doses. The effect of Jimaixin™ on hematological parameters was limited to a clear but transitory increase of the reticulocytes. These data give new elements to better survey a potential misuse of Jimaixin™ by athletes.
Novel insights into habitat suitability for Amazonian freshwater mussels linked with hydraulic and landscape drivers
Authors: Simeone Diego , Tagliaro Claudia Helena , Beasley Colin Robert
Published: August 2021

Novel insights into habitat suitability for two Unionida freshwater mussels, Castalia ambigua Lamarck, 1819 (Hyriidae) and Anodontites elongatus (Swainson, 1823) (Mycetopodidae), are presented on the basis of hydraulic variables linked with the riverbed in six 500‐m reaches in an eastern Amazonian river basin. Within the reaches, there was strong habitat heterogeneity in hydrodynamics and substrate composition. In addition, we investigated stressors based on landscape modification that are associated with declines in mussel density. We measured hydraulic variables for each 500‐m reach, and landscape stressors at two spatial scales (subcatchment and riparian buffer forest). We used the Random Forest algorithm, a tree‐based model, to predict the hydraulic variables linked with habitat suitability for mussels, and to predict which landscape stressors were most associated with mussel density declines. Both mussel species were linked with low substrate heterogeneity and greater riverbed stability (low Froude and Reynolds numbers), especially at high flow (low stream power). Different sediment grain size preferences were observed between mussel species: Castalia ambigua was associated with medium sand and Anodontites elongatus with medium and fine sand. Declines in mussel density were associated with modifications linked to urbanization at small scales (riparian buffer forest), especially with percent of and distance from rural settlements, distance to the nearest street, and road density. In summary, the high variance explained in both hydraulic and landscape models indicated high predictive power, suggesting that our findings may be extrapolated and used as a baseline to test hypotheses of habitat suitability in other Amazonian rivers for Castalia ambigua and Anodontites elongatus and also for other freshwater mussel species. Our results highlight the urgent need for aquatic habitat conservation to maintain sheltered habitats during high flow as well as mitigate the effects of landscape modifications at the riparian buffer scale, both of which are important for maintaining dense mussel populations and habitat quality.
Invertebrate and vertebrate predation rates in a hyperarid ecosystem following an oil spill
Authors: Ferrante Marco , Möller Daniella , Möller Gabriella , Menares Esteban , Lubin Yael , Segoli Michal
Published: August 2021

Extreme temperatures and scarce precipitation in deserts have led to abiotic factors often being regarded as more important than biotic ones in shaping desert communities. The presumed low biological activity of deserts is also one reason why deserts are often overlooked by conservation programs. We provide the first quantification of predation intensity from a desert ecosystem using artificial sentinel prey emulating caterpillars, a standardized monitoring tool to quantify relative predation pressure by many invertebrate and vertebrate predators. The study was conducted in a protected natural area affected by oil spills in 1975 and 2014; hence, we assessed the potential effects of oil pollution on predation rates. We found that predation was mostly due to invertebrate rather than vertebrate predators, fluctuated throughout the year, was higher at the ground level than in the tree canopy, and was not negatively affected by the oil spills. The mean predation rate per day (12.9%) was within the range found in other ecosystems, suggesting that biotic interactions in deserts ought not to be neglected and that ecologists should adopt standardized tools to track ecological functions and allow for comparisons among ecosystems.
Patient monitoring across the spectrum of heart failure disease management 10 years after the CHAMPION trial
Authors: Abraham William T. , Bensimhon Daniel , Pinney Sean P. , Feitell Scott C. , Peacock W. Frank , Amir Offer , Burkhoff Daniel
Published: August 2021

Despite significant advances in drug‐based and device‐based therapies, heart failure remains a major and growing public health problem associated with substantial disability, frequent hospitalizations, and high economic costs. Keeping patients well and out of the hospital has become a major focus of heart failure disease management. Achieving and maintaining such stability in heart failure patients requires a holistic approach, which includes at least the management of the underlying heart disease, the management of comorbidities and the social and psychological aspects of the disease, and the management of haemodynamic/fluid status. In this regard, accurate assessment of elevated ventricular filling pressures or volume overload, that is, haemodynamic or pulmonary congestion, respectively, before the onset of worsening heart failure symptoms represents an important management strategy. Unfortunately, conventional methods for assessing congestion, such as physical examination and monitoring of symptoms and daily weights, are insensitive markers of worsening heart failure. Assessment tools that directly measure congestion, accurately and in absolute terms, provide more actionable information that enables the application of treatment algorithms designed to restore patient stability, in a variety of clinical settings. Two such assessment tools, implantable haemodynamic monitors and remote dielectric sensing (ReDS), meet the prerequisites for useful heart failure management tools, by providing accurate, absolute, and actionable measures of congestion, to guide patient management. This review focuses on the use of such technologies, across the spectrum of heart failure treatment settings. Clinical data are presented that support the broad use of pulmonary artery pressure‐guided and/or ReDS‐guided heart failure management in heart failure patients with reduced and preserved left ventricular ejection fraction.
Research on Micro‐Electro‐Mechanical System‐Based Integrated Energy Harvester with Test Structures
Authors: Zhang Sen , Liao Xiaoping
Published: August 2021

Expansion of Internet of Things (IoT) in industrial fields requires a novel power supply. Research on a micro‐electro‐mechanical system (MEMS)‐based integrated energy harvester with test structures for power supply is proposed. The MEMS fabrication process is applied and amended to achieve a better performance. A metal heat sink is fabricated at the center of the harvester for thermoelectric gathering. The photoelectric harvester is in the back of the device to integrate with the thermoelectric harvester. The output voltage factor and output power factor of the thermoelectric harvester are measured to be 0.58 V cm−2 K−1and 2.76 × 10−2 μW cm−2 K−2. The efficiencies when the photoelectric harvester works with top and bottom sides, respectively, are 5.45% and 0.27%. In addition, several parameter test structures are designed to explain how external and internal parameters affect the performance of the proposed device. The maximum output power factor is found to be related to the length and width of the thermocouple. This relationship provides a way to amend the performance of the proposed device in our further research.
Acceleration‐based sliding mode hierarchical control algorithm for shake table tests
Authors: Yao Hongcan , Tan Ping , Yang T. Y. , Zhou Fulin
Published: August 2021

Existing control algorithms for seismic shake table tests (STTs) generally exhibit limitations such as poor acceleration tracking for displacement control, instability that results in table drift for direct acceleration, force, or velocity control, and the lack of a theoretical justification for hybrid control. Therefore, a reliable control algorithm has become key for effective shake table control. This paper presents acceleration‐based sliding mode control (SMC) as a solution to the drawbacks of the traditional force‐based SMC; in this manner, the influence of the force of the tested structure applied on the table as well as unmodeled complex nonlinear forces, such as friction, are counteracted. An acceleration‐based sliding mode hierarchical control (ASMHC) algorithm is proposed, where the acceleration‐based SMC is used as the high‐level controller to generate the corrected acceleration command, and the low‐level controller, that includes feed‐forward and feedback control, tracks the acceleration command in real time. The high‐level controller, having zero asymptotic stability, and the low‐level controller, designed based on the system transfer function, ensure tracking stability in time and frequency domains, respectively. The proposed ASMHC algorithm was first verified by a series of bare STTs, and was then applied to a real STT of a two‐story steel structure. The experimental results show that the proposed ASMHC algorithm can achieve good tracking of displacement, velocity, and acceleration in both time and frequency domains, which ensures accurate reproduction of seismic excitation in STTs.
Multispan bridges with distributed deck and pier mass and pier‐flexure‐deck‐torsion coupling under transverse excitation—Analytical solution, parametric studies, design implications
Authors: Fardis Michael N.
Published: August 2021

An “exact” analytical dynamic model is developed for symmetric bridges with two to five spans under transverse earthquake. It considers the mass as distributed along the deck and the piers and accounts for coupling of deck torsion with pier bending in vertical planes normal to the deck's axis. The characteristic equation is formulated in terms of (up to) seven dimensionless parameters which fully define a bridge and is solved numerically. Commercial software is used to validate the solution. Parametric studies of 225 bridge layouts produce response results of key importance for seismic design. Specific and general conclusions are drawn for conceptual design of multispan bridges for transverse earthquake.
Interactions between boulders and aeolian ridges on Mars
Authors: Nagle‐McNaughton Timothy Paul , Scuderi L. A.
Published: August 2021

Here we present new observations of two different interactions between aeolian ridges and boulder fields on Mars that provide insight into past wind conditions. First, an analysis of ridge and boulder interactions at two test sites in Proctor Crater and an additional site ~430 km to the northeast shows that ridge geometry can be affected by changes in surface roughness elements generated by boulder fields. Second, a detailed examination of some of the boulder fields found that individual boulders can generate multi‐armed ‘wakes’ that have no clear proxy on Earth. The ridge/boulder dynamics suggest that transverse aeolian ridges acted as roughness during their development, indicating that they formed at a length scale greater than wind ripples. The boulder wakes seem to represent an unusual interaction between flow separation and pre‐exiting ridges; why this pattern is not observed on Earth remains uncertain.
Forecasting realized volatility of international REITs: The role of realized skewness and realized kurtosis
Authors: Bonato Matteo , Cepni Oguzhan , Gupta Rangan , Pierdzioch Christian
Published: August 2021

We use an international dataset on 5‐min interval intraday data covering nine leading markets and regions to construct measures of realized volatility, realized jumps, realized skewness, and realized kurtosis of returns of international Real Estate Investment Trusts (REITs) over the daily period of September 2008 to August 2020. We study out‐of‐sample the predictive value of realized skewness and realized kurtosis for realized volatility over and above realized jumps, where we also differentiate between measures of “good” realized volatility and “bad” realized volatility. We find that realized skewness and realized kurtosis significantly improve forecasting performance at a daily, weekly, and monthly forecast horizon and that their contribution to forecasting performance outweighs in terms of significance the contribution of realized jumps. Our results have important implications for investors and policymakers.
Effect of nitrogen regulation on berry quality and flavonoids during veraison stage
Authors: Hui Yueran , Wang Jing , Jiang Tingting , Ma Tinghui , Wang Rui
Published: August 2021

Nitrogen regulation can effectively promote the improvement of berry components and the formation of flavor compounds in wine grapes. In order to understand the effects of foliar nitrogen spraying on grape quality and flavonoid substance, took Cabernet Sauvignon as the test subject, grape leaves were sprayed by ammonium sulfate, calcium ammonium nitrate, urea, phenylalanine, and glutamate during veraison, and clear water was used as the control. The results showed that spraying ammonium sulfate could improve the contents of soluble solids, anthocyanins, and total phenols of grape berries; spraying phenylalanine significantly increased the content of titratable acid and tannin and decreased the ratio of sugar to acid in grape berries; compared with the control group, spraying glutamate could significantly upregulate some flavonol monomers; spraying calcium ammonium nitrate can adjust the monomer content of some flavanols; urea spraying significantly increased the contents of most anthocyanins, flavanols, and flavonol and increased the contents of total anthocyanins, total flavanols, and total flavonol in grape skins, laying a foundation for the improvement of the nutritional value of grapes and wine in the future.