bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of yellow mutant rainbow trout transcriptomes at different developmental stages reveals dynamic regulation of skin pigmentation genes
Authors: Wu Shenji , Huang Jinqiang , Li Yongjuan , Zhao Lu , Liu Zhe
Published: January 2022

Yellow mutant rainbow trout (YR), an economically important aquaculture species, is popular among consumers due to its excellent meat quality and attractive appearance. Skin color is a key economic trait for YR, but little is known about the molecular mechanism of skin color development. In this study, YR skin transcriptomes were analyzed to explore temporal expression patterns of pigmentation-related genes in three different stages of skin color development. In total, 16,590, 16,682, and 5619 genes were differentially expressed between fish at 1 day post-hatching (YR1d) and YR45d, YR1d and YR90d, and YR45d and YR90d. Numerous differentially expressed genes (DEGs) associated with pigmentation were identified, and almost all of them involved in pteridine and carotenoid synthesis were significantly upregulated in YR45d and YR90d compared to YR1d, including GCH1, PTS, QDPR, CSFIR1, SLC2A11, SCARB1, DGAT2, PNPLA2, APOD, and BCO2. Interestingly, many DEGs enriched in melanin synthesis pathways were also significantly upregulated, including melanogenesis (MITF, MC1R, SLC45A2, OCA2, and GPR143), tyrosine metabolism (TYR, TYRP1, and DCT), and MAPK signaling (KITA) pathways. Using short time-series expression miner, we identified eight differential gene expression pattern profiles, and DEGs in profile 7 were associated with skin pigmentation. Protein–protein interaction network analysis showed that two modules were related to xanthophores and melanophores. In addition, 1,812,329 simple sequence repeats and 2,011,334 single-nucleotide polymorphisms were discovered. The results enhance our understanding of the molecular mechanism underlying skin pigmentation in YR, and could accelerate the molecular breeding of fish species with valuable skin color traits and will likely be highly informative for developing new therapeutic approaches to treat pigmentation disorders and melanoma.
The effects of fructose diphosphate on routine coagulation tests in vitro
Authors: Chen Tongqing , Chen Duan , Chen Lu , Chen Zhengxu , Wang Baolong , Zhou Daoping
Published: January 2022

To evaluate the effects of fructose diphosphate (FDP) on routine coagulation tests in vitro, we added FDP into the mixed normal plasma to obtain the final concentration of 0, 1, 2, 3, 4, 5, 6, 10, 15, 20, 25, 30 and 35 mg/mL of drug. Prothrombin time (PT), activated partial thromboplastin time (aPTT), fibrinogen (FBG) and thrombin time (TT) of samples were analyzed with blood coagulation analyzers from four different manufacturers(Sysmex, Stago, SEKISUI and Werfen) and their corresponding reagents, respectively. Before the experiment, we also observed whether there were significant differences in coagulation test results of different lots of reagents produced by each manufacturer. At the same time as the four routine clotting tests, the Sysmex blood coagulation analyzer and its proprietary analysis software were used to detect the change of maximum platelet aggregation rate in platelet-rich plasma after adding FDP (0, 1, 2, 3, 4, 5 and 6 mg/mL). The results of PT, aPTT and TT showed a FDP (0–35 mg/mL) concentration-dependent increase and a FBG concentration-dependent decrease. The degree of change (increase or decrease) varied depending on the assay system, with PT and aPTT being more affected by the Sysmex blood coagulation testing instrument reagent system and less affected by CEKISUI, TT less affected by CEKISUI and more affected by Stago, and FBG less affected by Stago and more affected by Sysmex. The results of PT, aPTT and TT were statistically positively correlated with their FDP concentrations, while FBG was negatively correlated. The correlation coefficients between FDP and the coagulation testing systems of Sysmex, Stago, Werfen and SEKISUI were 0.975, 0.988, 0.967, 0.986 for PT, and 0.993, 0.989, 0.990 and 0.962 for aPTT, 0.994, 0.960, 0.977 and 0.982 for TT, − 0.990, − 0.983, − 0.989 and − 0.954 for FBG, respectively. Different concentrations of FDP (0, 1, 2, 3, 4, 5 and 6 mg/mL) had different effects on the maximum aggregation rate of platelet induced by the agonists of adenosine diphosphate (ADP, 5 µmol/L), arachidonic acid (Ara, 1 mmol/L), collagen (Col, 2.5 µg/mL) and epinephrine (Epi,10 µmol/L), but the overall downward trend was consistent, that is, with the increase of FDP concentration, the platelet aggregation rate decreased significantly. Our experimental study demonstrated a possible effect of FDP on the assays of coagulation and Platelet aggregation, which may arise because the drug interferes with the coagulation and platelet aggregation detection system, or it may affect our in vivo coagulation system and Platelet aggregation function, the real mechanism of which remains to be further verified and studied.
Diamondoids and thiadiamondoids generated from hydrothermal pyrolysis of crude oil and TSR experiments
Authors: Peng Yanyan , Cai Chunfang , Fang Chenchen , Wu Liangliang , Liu Jinzhong , Sun Peng , Liu Dawei
Published: January 2022

Diamondoid compounds are widely used to reflect thermal maturation of high mature source rocks or oils and oil cracking extents. However, diamondoids and thiadiamondoids were demonstrated to have newly been generated and decomposed in our hydrothermal pyrolysis of crude oil and TSR experiments. Our results show that adamantanes and diamantanes are generated primarily within the maturity range 0.48–2.1% and 1.2–3.0% EasyRo, respectively. Their formation is enhanced and the decomposition of diamantanes obviously lags at elevated temperatures compared with anhydrous experiments. MDI, EAI, DMAI-1, DMDI-2 may serve as reliable maturity proxies at > ca.1.0% EasyRo, and other isomerization indices (TMAI-1, TMAI-2 and DMAI-2) are effective for the highly mature organic matter at EasyRo > 2.0%. The extent of oil cracking (EOC) calculated from the broadly used (3- + 4-) MD method (Dahl et al. in Nature 399:54–56, 1999) is proven to overestimate, especially for highly cracked samples due to the new generation of (3- + 4-) MD. Still, it can be corrected using a new formula at < 3.0% EasyRo. Other diamondoid-related indices (e.g., EAI, DMDI-2, As/Ds, MAs/MDs, DMAs/DMDs, and DMAs/MDs) can also be used to estimate EOC. However, these indices cannot be applied to TSR-altered petroleum. TSR is experimentally confirmed to generate diamantanes and thiaadmantanes at 1.81% EasyRo likely via direct reactions of reduced S species with hydrocarbons and accelerate the decomposition of diamantanes at > 2.62% EasyRo compared with thermal chemical alteration (TCA). More studies are needed to assess specific mechanisms for the formation of thiadiamondoids under natural conditions.
Synergism of imipenem with fosfomycin associated with the active cell wall recycling and heteroresistance in Acinetobacter calcoaceticus-baumannii complex
Authors: Singkham-in Uthaibhorn , Chatsuwan Tanittha
Published: January 2022

The carbapenem-resistant Acinetobacter calcoaceticus-baumannii (ACB) complex has become an urgent threat worldwide. Here, we determined antibiotic combinations and the feasible synergistic mechanisms against three couples of ACB (A. baumannii (AB250 and A10), A. pittii (AP1 and AP23), and A. nosocomialis (AN4 and AN12)). Imipenem with fosfomycin, the most effective in the time-killing assay, exhibited synergism to all strains except AB250. MurA, a fosfomycin target encoding the first enzyme in the de novo cell wall synthesis, was observed with the wild-type form in all isolates. Fosfomycin did not upregulate murA, indicating the MurA-independent pathway (cell wall recycling) presenting in all strains. Fosfomycin more upregulated the recycling route in synergistic strain (A10) than non-synergistic strain (AB250). Imipenem in the combination dramatically downregulated the recycling route in A10 but not in AB250, demonstrating the additional effect of imipenem on the recycling route, possibly resulting in synergism by the agitation of cell wall metabolism. Moreover, heteroresistance to imipenem was observed in only AB250. Our results indicate that unexpected activity of imipenem on the active cell wall recycling concurrently with the presence of heteroresistance subpopulation to imipenem may lead to the synergism of imipenem and fosfomycin against the ACB isolates.
An optimized method for Nasonia germ-free rearing
Authors: Wang Guan-Hong , Brucker Robert M.
Published: January 2022

A germ-free rearing system is a crucial method for host–microbiota interactions using Nasonia as a model system. The previous rearing media in 2012 introduced toxic factors like bleach and antibiotics, required significant effort and volume of media preparation, and the rearing protocols in 2012 and 2016 often resulted in embryos, larvae, and enclosing pupae drowning, underfed, or desiccating. In this work, we optimize the germ-free rearing media that excludes the toxic factors and provide a substrate for the developing animals to have constant access to media without the risk of drowning or desiccation. The new process resulted in an increase in full maturation of larvae to adults from 33 to 65%, with no effect on the rate of growth or final adult size. This significantly improves the applicability of germ-free rearing of Nasonia and potentially other parasitoids.
Annual change in the extracellular fluid/intracellular fluid ratio and mortality in patients undergoing maintenance hemodialysis
Authors: Yajima Takahiro , Yajima Kumiko , Takahashi Hiroshi
Published: January 2022

We aimed to investigate whether annual change in the extracellular fluid to intracellular fluid (ΔECF/ICF) ratio can accurately predict mortality in hemodialysis patients. Totally, 247 hemodialysis patients were divided into two groups according to the median baseline ECF/ICF ratio of 0.563 and ΔECF/ICF ≥ 0% or < 0% during the first year, respectively. Thereafter, they were divided into four groups according to each cutoff point and were followed up for mortality assessment. The ECF/ICF ratio increased from 0.566 ± 0.177 to 0.595 ± 0.202 in the first year (P = 0.0016). During the 3.4-year median follow-up, 93 patients died (42 cardiovascular-specific causes). The baseline ECF/ICF ≥ 0.563 and ΔECF/ICF ≥ 0% were independently associated with all-cause mortality (adjusted hazard ratio [aHR] 4.55, 95% confidence interval [CI] 2.60–7.98 and aHR 8.11, 95% CI 3.47–18.96, respectively). The aHR for ECF/ICF ≥ 0.563 and ΔECF/ICF ≥ 0% vs. ECF/ICF < 0.563 and ΔECF/ICF < 0% was 73.49 (95% CI 9.45–571.69). For model discrimination, adding the ΔECF/ICF (0.859) alone and both the baseline ECF/ICF and ΔECF/ICF (0.903) to the established risk model (0.746) significantly improved the C-index. Similar results were obtained for cardiovascular mortality. In conclusion, the ΔECF/ICF ratio could not only predict all-cause and cardiovascular mortality but also improve predictability of mortality in hemodialysis patients.
Metabolism modulation in rat tissues in response to point specificity of electroacupuncture
Authors: Lee Der-Yen , Jiu Yu-Rung , Hsieh Ching-Liang
Published: January 2022

Zusanli (ST36) and Neiguan (PC6) are acupoints along two meridians. To demonstrate point specificity, we investigated the effects of ST36 and PC6 in electroacupuncture (EA)-treated rats. The rats were subjected to sham acupuncture at ST36 without electric stimulation, EA at ST36, or EA at PC6. Heart and stomach tissues were collected for metabolite profiling. Each type of stimulation resulted in a different metabolite composition in the rat heart and stomach tissues. In the heart tissues, EA at ST36 affected a wider range of metabolite pathways than did EA at PC6, whereas similar numbers of metabolites in the stomach tissues were affected by EA at ST36 and PC6. The pathways affected by EA at ST36 differed from those affected by EA at PC6, and a group of common metabolites were reversely regulated by these two acupoints. This study demonstrated point specificity effectively modulated metabolism in rat heart and stomach tissues. The results indicate that heart stimulation may be connected to the stomach through the pericardium meridian (as described in traditional Chinese medicine), explaining why acupuncture applied to the stomach meridian can be an alternative treatment for gastric and heart diseases.
Entropic topography associated with field-induced quantum criticality in a magnetic insulator DyVO4
Authors: Ranaut Dheeraj , Mukherjee K.
Published: January 2022

Exploration of low temperature phase transitions associated with quantum critical point is one of the most mystifying fields of research which is under intensive focus in recent times. In this work, through comprehensive experimental evidences, we report the possibility of achieving quantum criticality in the neighborhood of a magnetic field-tuned tricritical point separating paramagnetic, antiferromagnetic and metamagnetic phases in a magnetic insulator, DyVO4. Magnetic susceptibility and heat capacity indicate to the presence of a long-range second order antiferromagnetic transition at TN ~ 3.2 K. Field variation of Magnetic susceptibility and heat capacity, along with differential magnetic susceptibility and DC field dependent AC susceptibility gives evidence of the modification of the antiferromagnetic structure below the tricritical point; implying the presence of a field-induced first order metamagnetic transition which persists down to 1.8 K. Further, the magnetic field dependence of the thermodynamic quantity − dM/dT, which is related to magnetic Gruneisen parameter, approaches a minimum, followed by a crossover near 5 kOe to a maximum; along with a hyperbolic divergence in temperature response of dM/dT in the critical field regime. Temperature response of heat capacity at 5 kOe also shows a deviation from the conventional behavior. Entropic topography phase diagram allows tracking of the variation of the entropy, which indicates towards the emergence of the peak at quantum critical point into a V-shaped region at high temperatures. Our studies yield an inimitable phase diagram describing a tricritical point at which the second-order antiferromagnetic phase line terminates followed by a first order line of metamagnetic transition, as the temperature is lowered, leading to metamagnetic quantum critical end point.
The beneficial effect of Alpha-lipoic acid supplementation as a potential adjunct treatment in episodic migraines
Authors: Kelishadi Mahnaz Rezaei , Naeini Amirmansour Alavi , Khorvash Fariborz , Askari Gholamreza , Heidari Zahra
Published: January 2022

The current study was performed to evaluate the effects of alpha-lipoic acid (ALA) supplementation on lactate, nitric oxide (NO), vascular cell adhesion molecule-1 (VCAM-1) levels, and clinical symptoms in women with episodic migraines. Considering the inclusion and exclusion criteria, ninety-two women with episodic migraines participated in this randomized, double-blind, placebo-controlled, parallel-design trial. The participants were randomly assigned to receive either 300 mg/day ALA or placebo, twice per day for 12 weeks. The primary outcomes included headache severity, headache frequency per month, and duration of attacks and the secondary outcomes included lactate (a marker of mitochondrial function), NO, and VCAM-1 serum levels were measured at baseline and the end of the intervention. At the end of the study, there was a significant decrease in lactate serum levels (− 6.45 ± 0.82 mg/dl vs − 2.27 ± 1.17 mg/dl; P = 0.039) and VCAM-1 (− 2.02 ± 0.30 ng/ml vs − 1.21 ± 0.36 ng/ml; P = 0.025) in the ALA as compared to the placebo group. In addition, the severity (P < 0.001), frequency (P = 0.001), headache impact test (HIT-6) (P < 0.001), headache dairy results (HDR) (P = 0.003), and migraine headache index score (MHIS) (P < 0.001) had significantly decreased in the intervention as compared to the control group. No significant changes were observed for NO levels and duration of migraine pains. ALA supplementation can be considered a potential adjunct treatment in patients with migraine due to its improving mitochondrial and endothelial functions and clinical symptoms.
Monitoring geological storage of CO2 using a new rock physics model
Authors: Fawad Manzar , Mondol Nazmul Haque
Published: January 2022

To mitigate the global warming crisis, one of the effective ways is to capture CO2 at an emitting source and inject it underground in saline aquifers, depleted oil and gas reservoirs, or in coal beds. This process is known as carbon capture and storage (CCS). With CCS, CO2 is considered a waste product that has to be disposed of properly, like sewage and other pollutants. While and after CO2 injection, monitoring of the CO2 storage site is necessary to observe CO2 plume movement and detect potential leakage. For CO2 monitoring, various physical property changes are employed to delineate the plume area and migration pathways with their pros and cons. We introduce a new rock physics model to facilitate the time-lapse estimation of CO2 saturation and possible pressure changes within a CO2 storage reservoir based on physical properties obtained from the prestack seismic inversion. We demonstrate that the CO2 plume delineation, saturation, and pressure changes estimations are possible using a combination of Acoustic Impedance (AI) and P- to S-wave velocity ratio (Vp/Vs) inverted from time-lapse or four-dimensional (4D) seismic. We assumed a scenario over a period of 40 years comprising an initial 25 year injection period. Our results show that monitoring the CO2 plume in terms of extent and saturation can be carried out using our rock physics-derived method. The suggested method, without going into the elastic moduli level, handles the elastic property cubes, which are commonly obtained from the prestack seismic inversion. Pressure changes quantification is also possible within un-cemented sands; however, the stress/cementation coefficient in our proposed model needs further study to relate that with effective stress in various types of sandstones. The three-dimensional (3D) seismic usually covers the area from the reservoir's base to the surface making it possible to detect the CO2 plume's lateral and vertical migration. However, the comparatively low resolution of seismic, the inversion uncertainties, lateral mineral, and shale property variations are some limitations, which warrant consideration. This method can also be applied for the exploration and monitoring of hydrocarbon production.
Study of the variation of the optical properties of calcite with applied stress, useful for specific rock and material mechanics
Authors: Ulian Gianfranco , Valdrè Giovanni
Published: January 2022

Calcite (CaCO3, trigonal crystal system, space group$$R\overline{3}c$$R3¯c) is a ubiquitous carbonate phase commonly found on the Earth’s crust that finds many useful applications in both scientific (mineralogy, petrology, geology) and technological fields (optics, sensors, materials technology) because of its peculiar anisotropic physical properties. Among them, photoelasticity, i.e., the variation of the optical properties of the mineral (including birefringence) with the applied stress, could find usefulness in determining the stress state of a rock sample containing calcite by employing simple optical measurements. However, the photoelastic tensor is not easily available from experiments, and affected by high uncertainties. Here we present a theoretical Density Functional Theory approach to obtain both elastic and photoelastic properties of calcite, considering realistic experimental conditions (298 K, 1 atm). The results were compared with those available in literature, further extending the knowledge of the photoelasticity of calcite, and clarifying an experimental discrepancy in the sign of thep41photoelastic tensor component measured in past investigations. The methods here described and applied to a well-known crystalline material can be used to obtain the photoelastic properties of other minerals and/or materials at desired pressure and temperature conditions.
Amine-substituent induced highly selective and rapid “turn-on” detection of carcinogenic 1,4-dioxane from purely aqueous and vapour phase with novel post-synthetically modified d10-MOFs
Authors: Mondal Udayan , Bej Sourav , Hazra Abhijit , Mandal Sukdeb , Pal Tapan K. , Banerjee Priyabrata
Published: January 2022

Amine-functionalized post-synthetically modified d10 MOFs for selective and rapid 'turn-on' recognition of carcinogenic 1,4-dioxane from aqueous medium and vapour phase
Ice nucleating particles in the Canadian High Arctic during the fall of 2018
Authors: Yun Jingwei , Evoy Erin , Worthy Soleil E. , Fraser Melody , Veber Daniel , Platt Andrew , Rawlings Kevin , Sharma Sangeeta , Leaitch W. Richard , Bertram Allan
Published: January 2022

Our results suggest that a significant source of ice nucleating particles at Alert, Nunavut, during October and November, was likely ice-free and snow-free land at latitudes >50 °N.
Assessing the value of electric vehicle managed charging: a review of methodologies and results
Authors: Anwar Muhammad Bashar , Muratori Matteo , Jadun Paige , Hale Elaine , Bush Brian , Denholm Paul , Ma Ookie , Podkaminer Kara
Published: January 2022

Electric vehicle managed charging can benefit all consumers by supporting grid planning, operation, and reliability – especially complementing high-renewable systems.
Polysaccharide from Ganoderma lucidum alleviates cognitive impairment in a mouse model of chronic cerebral hypoperfusion by regulating CD4+CD25+Foxp3+ regulatory T cells
Authors: Zhang Yan , Song Shuang , Li Haitao , Wang Xinyan , Song Lianlian , Xue Jianfei
Published: January 2022

GPL-1 alleviates cognitive impairment in a mice model of chronic cerebral hypoperfusion by regulating CD4+CD25+Foxp3+ regulatory T cells.
Two ‘braking mechanisms’ for tin phthalocyanine molecular rotors on dipolar iron oxide surfaces
Authors: Lu Shuangzan , Huang Min , Huang Guodong , Guo Qinmin , Li Hongxing , Deng Jinghao , Zhang Chendong , Yu Yinghui
Published: January 2022

Two “braking mechanisms” for molecular rotors: one is the stimuli-induced conformational change; the other is the embedded molecular fragment acting as a brake pad.
Nanoparticle design and assembly for p-type metal oxide gas sensors
Authors: Choi Byeonghoon , Shin Dongwoo , Lee Hee-Seung , Song Hyunjoon
Published: January 2022

p-Type metal oxide semiconductors and their heterojunctions with n-type counterparts provide advanced gas sensing performances powered by their nanostructure design and assembly.
On the mechanism of the dyotropic expansion of hydrindanes into decalins
Authors: Santalla Hugo , Nieto Faza Olalla , Gómez Generosa , Fall Yagamare , López Carlos Silva
Published: January 2022

A combined computational/experimental approach has revealed key mechanistic aspects in a recently reported dyotropic expansion of hydrindanes into decalins.
Hydroboration and reductive amination of ketones and aldehydes with HBpin by a bench stable Pd(ii)-catalyst
Authors: Mahato Shreya , Rawal Parveen , Devadkar Ajitrao Kisan , Joshi Mayank , Roy Choudhury Angshuman , Biswas Bhaskar , Gupta Puneet , Panda Tarun K.
Published: January 2022

A Pd(ii) complex catalysed hydroboration and reductive amination reaction of several aldehydes and ketones are reported. DFT-based computational study of the reaction mechanism unravels the dual role of HBpin in accomplishing the hydroboration reaction.
Synthesis of bimetallic nickel cobalt selenide particles for high-performance hybrid supercapacitors
Authors: Jiang Bei , Liu Yang , Zhang Jingchao , Wang Yinhuan , Zhang Xinyu , Zhang Renchun , Huang Liang-Liang , Zhang Daojun
Published: January 2022

The litchi-like Ni–Co selenide constructed Ni0.95Co2.05Se4//AC hybrid supercapacitor achieves an energy density of 37.22 W h kg−1and a power density of 800.90 W kg−1. The ASC device can retain 95.21% of the original capacity after 4000 cycles.
Photocatalytic degradation of methylene blue (MB) with Cu1–ZnO single atom catalysts on graphene-coated flexible substrates
Authors: Rong Ping , Jiang Ya-Fei , Wang Qi , Gu Meng , Jiang Xue-Lian , Yu Qi
Published: January 2022

Single-atom catalyst of Cu1@ZnO/GPET synthesized via hydrothermal method is shown to exhibit excellent photocatalytic activity towards the degradation of methylene blue solution due to high electron–hole separation efficiency.
Discovery of C5H+ and detection of C3H+ in TMC-1 with the QUIJOTE line survey
Authors: Cernicharo J. , Agúndez M. , Cabezas C. , Fuentetaja R. , Tercero B. , Marcelino N. , Endo Y. , Pardo J. R. , de Vicente P.
Published: January 2022

We report the discovery of the C5H+ cation toward TMC-1 with the QUIJOTE line survey. Four lines from J = 7 − 6 up to J = 10 − 9 have been identified in perfect harmonic frequency relation that can be fit with B = 2411.94397 ± 0.00055 MHz and D = 138 ± 3 Hz. The standard deviation of the fit is 4.4 kHz. After discarding potential candidates, C5H− among them, we conclude that the carrier is C5H+, for which accurate ab initio calculations provide B = 2410.3 MHz. We also report for the first time in a cold starless core the detection of the C3H+ cation. The column densities we derive for C5H+ and C3H+ are (8.8 ± 0.5)×1010 cm−2 and (2.4 ± 0.2)×1010 cm−2, respectively. Hence, the C5H+/C3H+ abundance ratio is 3.7 ± 0.5. The fact that C5H+ is more abundant than C3H+ is well explained by dedicated chemical models and is due to the slow reactivity of C5H+ with H2, while C3H+ reacts with H2.
Boundary stabilization and disturbance rejection for an unstable time fractional diffusion-wave equation
Authors: Zhou Hua-Cheng , Wu Ze-Hao , Guo Bao-Zhu , Chen Yangquan
Published: January 2022

In this paper, we study boundary stabilization and disturbance rejection problem for an unstable time fractional diffusion-wave equation with Caputo time fractional derivative. For the case of no boundary external disturbance, both state feedback control and output feedback control via Neumann boundary actuation are proposed by the classical backstepping method. It is proved that the state feedback makes the closed-loop system Mittag-Leffler stable and the output feedback makes the closed-loop system asymptotically stable. When there is boundary external disturbance, we propose a disturbance estimator constructed by two infinite dimensional auxiliary systems to recover the external disturbance. A novel control law is then designed to compensate for the external disturbance in real time, and rigorous mathematical proofs are presented to show that the resulting closed-loop system is Mittag-Leffler stable and the states of all subsystems involved are uniformly bounded. As a result, we completely resolve, from a theoretical perspective, two long-standing unsolved mathematical control problems raised in Liang [Nonlinear Dyn. 38 (2004) 339–354] where all results were verified by simulations only.
Palladium-Catalyzed Thiocarbonylations with Triisopropylsilyl Thioethers
Authors: Nakada Masahisa , Hosoya Yosuke , Mizoguchi Kota , Yasukochi Honoka
Published: January 2022

We have developed a palladium-catalyzed thiocarbonylation through the reaction of a σ-alkyl palladium intermediate with carbon monoxide and a triisopropylsilyl (TIPS) thioether. The use of CsF, (IPr)Pd(allyl)Cl [IPr =1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene], CO, and a TIPS thioether in THF are key to obtaining alkyl and aryl thioesters in high yields. The yield of the palladium-catalyzed thiocarbonylation depended on the structure of the substrate; indoline-2-one derivatives were formed faster than indoline derivatives. The reactions of benzoyl and hydrocinnamoyl fluorides with TIPSSPh and CsF also gave the corresponding thioesters.
Andexanet Alfa for Specific Anticoagulation Reversal in Patients with Acute Bleeding during Treatment with Edoxaban
Authors: Benz Alexander P. , Xu Lizhen , Eikelboom John W. , Middeldorp Saskia , Milling Truman J. , Crowther Mark , Yue Patrick , Conley Pamela , Lu Genmin , Connolly Stuart J. ,   on behalf of the ANNEXA-4 Investigators
Published: January 2022

Background Andexanet alfa (andexanet) is approved for specific anticoagulation reversal in patients with life-threatening or uncontrolled bleeding during treatment with rivaroxaban or apixaban. There is limited experience with andexanet in patients with acute bleeding on edoxaban.

Methods Patients with acute major bleeding within 18 hours of edoxaban intake were prospectively enrolled. Patients received a bolus and 2-hour follow-on infusion of andexanet. The co-primary efficacy outcomes were change in antifactor Xa activity and the percentage of patients achieving excellent or good hemostasis, 12 hours after andexanet treatment. Efficacy was analyzed in patients with confirmed major bleeding and baseline antifactor Xa activity ≥40 ng/mL. Safety was analyzed in all patients.

Results Thirty-six patients (mean age: 82 years, 61.1% male and 91.7% with atrial fibrillation) with acute major bleeding on edoxaban received andexanet. The primary site of bleeding was intracranial in 29 patients (80.6%). In the efficacy population (n = 28), median antifactor Xa activity decreased from 121.1 (interquartile range [IQR]: 70.3–202.4) ng/mL at baseline to 24.0 (IQR: 77.7–83.7) ng/mL at the end of andexanet bolus (median decrease: 68.9%, 95% confidence interval [CI]: 56.1–77.7%). Excellent or good hemostasis at 12 hours was achieved in 78.6% (95% CI: 59.0–91.7%) of patients. Within 30 days, four patients (11.1%) experienced a thrombotic event and four others (11.1%) died.

Conclusion In patients with acute major bleeding on edoxaban, andexanet significantly decreased antifactor Xa activity. Hemostatic efficacy was similar to that observed in patients with bleeding on rivaroxaban or apixaban. Thrombotic events occurred at a rate expected in such patients.
Efficacy and Tolerability of Lacosamide in Lennox–Gastaut Syndrome: A Systematic Review and Meta-analysis
Authors: Panda Prateek Kumar , Sharawat Indar Kumar , Dawman Lesa , Panda Pragnya , Kasinathan Ananthanarayanan , Rathaur Vyas Kumar
Published: January 2022

Purpose Lennox–Gastaut syndrome (LGS) is one of the most difficult to treat childhood-onset epileptic encephalopathies. There is growing evidence that lacosamide is safe and efficacious in patients and adults with refractory epilepsy. However, the evidence regarding the efficacy of lacosamide in LGS is controversial so far. We aimed to evaluate the efficacy and tolerability of lacosamide in patients with LGS.

Methods We conducted a systematic review on MEDLINE, EMBASE, COCHRANE CENTRAL, Google Scholar, and Web of Science, collating all available literature till July 31, 2020. The qualitative review included case reports, case series, and both controlled/uncontrolled trials as well as retrospective studies, but for determining pooled estimates, we only included studies with a sample size of 5 or more. The primary outcome was the efficacy of lacosamide in patients with LGS. Clinical variables related to efficacy and adverse events attributed to lacosamide were extracted from each publication. The pooled estimate of variables related to these parameters was performed using a random-effect model.

Results Of the 68 items identified by the search, 14 were reviewed as full-text. Eleven articles including two prospective and six retrospective studies fulfilled eligibility criteria and described outcomes in 81 patients (42 adults, 39 children, 60% male, range—1.4–61 years). On average, 35.2%, 27.9%, 7.3%, and 29.4% patients had > 50% reduction, < 50% reduction, no change, and worsening of seizure frequency, respectively. Although 36% of patients had adverse events like somnolence, behavioral abnormalities including irritability, aggressiveness, nausea, tremor, memory problems, dizziness, gastrointestinal discomfort, vomiting, and weight loss, no serious adverse events were noted.

Conclusion The evidence available in the current literature is not sufficient to support or refute the use of lacosamide in patients with LGS. Although it is one of the possible therapeutic options worth exploring in patients with LGS, caution is still necessary, as there are reports of worsening of seizure frequency in some patients.
Reconciling fragmented sectors of health research regulation: toward an ecosystem of processual regulation
Authors: Frowde Rhiannon L. , Dove Edward S. , Laurie Graeme T.
Published: January 2022

The delivery of good outcomes from human health research is entirely dependent on the proper functioning of the attendant regulatory systems. This article focuses on the processes of regulation themselves, and how these might be better understood, so that regulators and other stakeholders have a strong normative basis upon which to pursue the regulatory objective of achieving outcomes with maximum social value. The argument is made that the concept of ‘processual regulation’—which promotes a whole systems approach to regulation—can assist greatly in the design, implementation, and review of human health research. This moves beyond the current often-fragmented approach to regulation towards a joined-up, reflective, and responsive system that has fitness-for-purpose at its core.
Banking disclosure and banking crises in Africa: does board gender diversity play a role?
Authors: Ofori-Sasu Daniel , Sarpong Maame Ofewah , Tetteh Vivian , Kusi Baah Aye
Published: January 2022

The paper aims to investigate the impact of board gender diversity in explaining the relationship between bank disclosure and the predicted probability of banking crises in Africa. The study employs robust panel estimates based on an aggregate dataset of banks in 42 African countries over the 2006–2018 periods. From the study, board gender diversity (more women on boards and the presence of women on boards) has a positive impact on information disclosure of banks. We find that board gender diversity and bank disclosure have the possibility of reducing a banking crisis. We observe that board gender diversity enhances the reductive effect of bank disclosure on a predicted probability of a banking crisis. The implication is that women on boards provide prudent decisions on financial information disclosure that significantly reduce the possibility of a banking crises in order to ensure stable banking systems.
Characteristics of a nanosecond pulsed dielectric barrier plasma actuator with a surface water film
Authors: Xu Shuangyan , Ball Isaac , Cai Jinsheng , Wang Jifei
Published: January 2022

Aircraft icing is one of the most serious hazards for airflight operations. The nanosecond pulsed surface dielectric barrier discharge (NSDBD) plasma actuator is recognized as an extremely promising anti-icing technology. In this paper, a multi-physics coupling simulation is used to study the plasma-discharge characteristics and responses of the air–water flow field generated by an NSDBD plasma actuator with a surface water film. The computational model describes air flows through an NSDBD plasma actuator with a water film at the center of two upper powered electrodes. The multi-physics model is solved using the drift-diffusion and energy-conservation equations for the plasma discharge and the mass, momentum, energy, and concentration equations for the air–water flow. The results show that, at the beginning of the voltage pulse, the surface water film has no effect on the plasma discharge. Then, during the pulse plateau time, the film leads to a longer plasma-discharge time and a larger plasma-discharge region. Furthermore, the film causes the plasma-actuator surface to develop a virtual positive electrode that would otherwise be absent and results in the plasma actuator generating more intense shock waves, higher gas temperatures, and larger heated regions.
MacroQC 1.0: An electronic structure theory software for large-scale applications
Authors: Bozkaya Uğur , Ermiş Betül , Alagöz Yavuz , Ünal Aslı , Uyar Ali Kaan
Published: January 2022

MacroQC is a quantum chemistry software for high-accuracy computations and large-scale chemical applications. MacroQC package features energy and analytic gradients for a broad range of many-body perturbation theory and coupled-cluster (CC) methods. Even when compared to commercial quantum chemistry software, analytical gradients of second-order perturbation theory, CC singles and doubles (CCSD), and CCSD with perturbative triples approaches are particularly efficient. MacroQC has a number of peculiar features, such as analytic gradients with the density-fitting approach, orbital-optimized methods, extended Koopman’s theorem, and molecular fragmentation approaches. MacroQC provides a limited level of interoperability with some other software. The plugin system of MacroQC allows external interfaces in a developer-friendly way. The linear-scaling systematic molecular fragmentation (LSSMF) method is another distinctive feature of the MacroQC software. The LSSMF method enables one to apply high-level post-Hartree–Fock methods to large-sized molecular systems. Overall, we feel that the MacroQC program will be a valuable tool for wide scientific applications.
Safety research on stabilization of autonomous vehicles based on improved-LQR control
Authors: Li Hao , Li Peiqing , Yang Likang , Zou Jun , Li Qipeng
Published: January 2022

Mediating the divergent interest of vehicle stability and strengthened path tracking performance when aiming at the design of a path tracking controller for autonomous vehicles is a challenging issue. Accordingly, this paper proposes an improved-LQR (linear quadratic regulator) control applied using an improved path planning algorithm. A feedforward and feedback LQR control is constructed by applying the path optimization solution method, which is a different traditional polynomial trajectory fitting method, and then solving the path planning information and the control input parameter in real time to make the tracking error as convergent as possible. To verify the superiority of the improved-LQR, this study compares the proposed controller and model predictive control by the traditional path solving method on a closed-loop test road using Carsim/Simulink. The comparative results show the efficiency, accurate tracking, vehicle stability, and reliability of the proposed controller.
Surrogate Hessian accelerated structural optimization for stochastic electronic structure theories
Authors: Tiihonen Juha , Kent Paul R. C. , Krogel Jaron T.
Published: January 2022

We present an efficient energy-based method for structural optimization with stochastic electronic structure theories, such as diffusion quantum Monte Carlo (DMC). This method is based on robust line-search energy minimization in reduced parameter space, exploiting approximate but accurate Hessian information from a surrogate theory, such as density functional theory. The surrogate theory is also used to characterize the potential energy surface, allowing for simple but reliable ways to maximize statistical efficiency while retaining controllable accuracy. We demonstrate the method by finding the minimum DMC energy structures of the selected flake-like aromatic molecules, such as benzene, coronene, and ovalene, represented by 2, 6, and 19 structural parameters, respectively. In each case, the energy minimum is found within two parallel line-search iterations. The method is near-optimal for a line-search technique and suitable for a broad range of applications. It is easily generalized to any electronic structure method where forces and stresses are still under active development and implementation, such as diffusion Monte Carlo, auxiliary-field Monte Carlo, and stochastic configuration interaction, as well as deterministic approaches such as the random-phase approximation. Accurate and efficient means of geometry optimization could shed light on a broad class of materials and molecules, showing high sensitivity of induced properties to structural variables.
Diurnal regulation of rice N uptake ability under interrupted N supply
Authors: Hasan Md. Mehedi , Dumbuya Gibrilla , Alemayehu Habtamu Assega , Matsushima Uzuki , Matsunami Maya , Shimono Hiroyuki
Published: January 2022

Plants take up nitrogen (N) both day and night. The diurnal variation in N uptake results from interactions between aboveground and belowground tissues. We examined the long-term effects of interrupted N supply (day only or night only) under hydroponic conditions to test whether plant acclimatisation response to the interrupted N supply differs by day or night. Seedlings experienced 32 days under daytime-fed (DF), night-time-fed (NF), or continuous (CT) N supply. The root N uptake rate (NUR) differed between DF and NF from day 3 of treatment, after which NUR was significantly increased (by up to 82%) in DF and NF plants. The increased NUR during each half-day did not fully compensate for lost access to N during the other half-day, resulting in lower N accumulation by the end of the treatment. The reduction was smaller in DF plants than NF plants. The underlying mechanism of diurnal variation of N uptake is discussed in terms of transpiration demand and gene expression in roots.
Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate
Authors: Holmes Jacob B. , Liu Viktoriia , Caulkins Bethany G. , Hilario Eduardo , Ghosh Rittik K. , Drago Victoria N. , Young Robert P. , Romero Jennifer A. , Gill Adam D. , Bogie Paul M. , Paulino Joana , Wang Xiaoling , Riviere Gwladys , Bosken Yuliana K. , Struppe Jochem , Hassan Alia , Guidoulianov Jevgeni , Perrone Barbara , Mentink-Vigier Frederic , Chang Chia-en A. , Long Joanna R. , Hooley Richard J. , Mueser Timothy C. , Dunn Michael F. , Mueller Leonard J.
Published: January 2022

Significance

The determination of active site protonation states is critical for a full mechanistic understanding of enzymatic transformations. However, hydrogen atom positions are challenging to extract using the standard tools of structural biology. Here, we make use of a joint solid-state NMR, X-ray crystallography, and first-principles computational approach that enables the investigation of enzyme catalysis at this fine level of chemical detail. For tryptophan synthase, this allows us to peer along the reaction coordinates into and out of the α-aminoacrylate intermediate. Through this process, we are developing a high-resolution probe for structural biology that is keenly sensitive to hydrogen atom positions—complementing diffraction methods yet able to be applied under conditions of active catalysis in microcrystalline and non-crystalline materials.
Asymptotic quasinormal frequencies of different spin fields in d-dimensional spherically-symmetric black holes
Authors: Chen Chun-Hung , Cho Hing-Tong , Chrysostomou Anna , Cornell Alan S
Published: January 2022

While Hod’s conjecture is demonstrably restrictive, the link he observed between black hole (BH) area quantisation and the large overtone (n) limit of quasinormal frequencies (QNFs) motivated intense scrutiny of the regime, from which an improved understanding of asymptotic quasinormal frequencies (aQNFs) emerged. A further outcome was the development of the ‘monodromy technique’, which exploits an anti-Stokes line analysis to extract physical solutions from the complex plane. Here, we use the monodromy technique to validate extant aQNF expressions for perturbations of integer spin, and provide new results for the aQNFs of half-integer spins within higher-dimensional Schwarzschild, Reissner–Nordström, and Schwarzschild (anti-)de Sitter BH spacetimes. Bar the Schwarzschild anti-de Sitter case, the spin-1/2 aQNFs are purely imaginary; the spin-3/2 aQNFs resemble spin-1/2 aQNFs in Schwarzschild and Schwarzschild de Sitter BHs, but match the gravitational perturbations for most others. Particularly for Schwarzschild, extremal Reissner–Nordström, and several Schwarzschild de Sitter cases, the application of n → ∞ generally fixes

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and allows for the unbounded growth of

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in fixed quantities.
A study on the isolated photon production in nuclear collisions at the CERN-LHC energies
Authors: Sampaio dos Santos G , Gil da Silveira G , Machado M V T
Published: January 2022

An analysis of prompt photon production in high energy nuclear collisions at the Large Hadron Collider is performed within the parton saturation picture taking into account the updated phenomenological color dipole models. Comparison between ⟨N
coll⟩ scaling for hard scattering in heavy-ion collisions and the N
part-scaling based on geometric scaling arguments has been done. The predictions are parameter free in the first case whereas a dependence on the constant of proportionality κ between the number of participants and the nuclear saturation scale appears in the second case. This parameter has been analyzed in the prompt photon spectrum at small transverse momentum even though no fitting procedure was performed. Results are confronted with the measurements made by the ALICE, ATLAS, and CMS experiments in terms of photon transverse momentum at different rapidity bins. We show that the prompt photon production exhibits distinct scalings in AA events associated to geometrical properties of the collision and can be properly addressed in the color dipole formalism. Based on the N
part-scaling, an analytical parametrization for the invariant cross section is provided and employed to predict the x
T-scaling in measurements. For κ of order of unit the theoretical scaling curve correctly describes data in the range x
T ⩽ 5 × 10−2.
Pyrochlore oxide Hg2Os2O7 on verge of metal–insulator boundary
Authors: Kataoka Kota , Hirai Daigorou , Koda Akihiro , Kadono Ryosuke , Honda Takashi , Hiroi Zenji
Published: January 2022

Semimetallic osmium pyrochlore oxide Cd2Os2O7 undergoes a magnetic transition to an all-in–all-out (AIAO)-type order at 227 K, followed by a crossover to an AIAO insulator at around 210 K. Here, we studied the isostructural and isoelectronic compound Hg2Os2O7 through thermodynamic measurements, muon spin rotation (μSR) spectroscopy and neutron diffraction experiments. A similar magnetic transition, probably to an AIAO-type order, was observed at 88 K, while the resistivity showed a decrease at the transition and remained metallic down to 2 K. Thus, the ground state of Hg2Os2O7 is most likely an AIAO semimetal, which is analogous to the intermediate-temperature state of Cd2Os2O7. Hg2Os2O7 exists on the verge of the metal–insulator boundary on the metal side and provides an excellent platform for studying the electronic instability of 5d electrons with moderate electron correlations and strong spin–orbit interactions.
Spatially varying chemical phase formation on silicon nano ripple by low energy mixed ions bombardment
Authors: Mukherjee Joy , Bhowmik Dipak , Bhattacharyya Gourab , Satpati Biswarup , Karmakar Prasanta
Published: January 2022

We report mixed (CO+ and N2
+) ion beam induced spatially varying chemical phases formation on Si (100) surface in nanometer length scale. Simultaneous bombardment of carbon, oxygen and nitrogen like three reactive ions leads to well-defined ripple development and spatially varying periodic chemical phases formation. Post bombardment chemical changes of Si surface are investigated by x-ray photoelectron spectroscopy, and spatially resolved periodic variation of chemical phases are confirmed by electron energy loss spectroscopy. The thickness of ion modified amorphous layer, estimated by Monte Carlo simulation (SRIM), is in excellent agreement with the cross-sectional transmission electron microscopy measurements. The formation of such periodic nanoscale ripple having multiple chemical phases at different parts is explained in terms of chemical instability, local ion flux variation and difference in sputtering yield. Potential applications of such newly developed nano material are also addressed.