bluuebunny/crossref_metadata_2025 huggingface dataset:
Induced neural progenitor cells and iPS-neurons from major depressive disorder patients show altered bioenergetics and electrophysiological properties
Authors: Triebelhorn Julian , Cardon Iseline , Kuffner Kerstin , Bader Stefanie , Jahner Tatjana , Meindl Katrin , Rothhammer-Hampl Tanja , Riemenschneider Markus J. , Drexler Konstantin , Berneburg Mark , Nothdurfter Caroline , Manook André , Brochhausen Christoph , Baghai Thomas C. , Hilbert Sven , Rupprecht Rainer , Milenkovic Vladimir M. , Wetzel Christian H.
Published: June 2022

The molecular pathomechanisms of major depressive disorder (MDD) are still not completely understood. Here, we follow the hypothesis, that mitochondria dysfunction which is inevitably associated with bioenergetic disbalance is a risk factor that contributes to the susceptibility of an individual to develop MDD. Thus, we investigated molecular mechanisms related to mitochondrial function in induced neuronal progenitor cells (NPCs) which were reprogrammed from fibroblasts of eight MDD patients and eight non-depressed controls. We found significantly lower maximal respiration rates, altered cytosolic basal calcium levels, and smaller soma size in NPCs derived from MDD patients. These findings are partially consistent with our earlier observations in MDD patient-derived fibroblasts. Furthermore, we differentiated MDD and control NPCs into iPS-neurons and analyzed their passive biophysical and active electrophysiological properties to investigate whether neuronal function can be related to altered mitochondrial activity and bioenergetics. Interestingly, MDD patient-derived iPS-neurons showed significantly lower membrane capacitance, a less hyperpolarized membrane potential, increased Na+ current density and increased spontaneous electrical activity. Our findings indicate that functional differences evident in fibroblasts derived from MDD patients are partially present after reprogramming to induced-NPCs, could relate to altered function of iPS-neurons and thus might be associated with the aetiology of major depressive disorder.
Bridging a diagnostic Kawasaki disease classifier from a microarray platform to a qRT-PCR assay
Authors: Kuiper Rowan , Wright Victoria J. , Habgood-Coote Dominic , Shimizu Chisato , Huigh Daphne , Tremoulet Adriana H. , van Keulen Danielle , Hoggart Clive J. , Rodriguez-Manzano Jesus , Herberg Jethro A. , Kaforou Myrsini , Tempel Dennie , Burns Jane C. , Levin Michael
Published: June 2022

Background

Kawasaki disease (KD) is a systemic vasculitis that mainly affects children under 5 years of age. Up to 30% of patients develop coronary artery abnormalities, which are reduced with early treatment. Timely diagnosis of KD is challenging but may become more straightforward with the recent discovery of a whole-blood host response classifier that discriminates KD patients from patients with other febrile conditions. Here, we bridged this microarray-based classifier to a clinically applicable quantitative reverse transcription-polymerase chain reaction (qRT-PCR) assay: the Kawasaki Disease Gene Expression Profiling (KiDs-GEP) classifier.

Methods

We designed and optimized a qRT-PCR assay and applied it to a subset of samples previously used for the classifier discovery to reweight the original classifier.

Results

The performance of the KiDs-GEP classifier was comparable to the original classifier with a cross-validated area under the ROC curve of 0.964 [95% CI: 0.924–1.00] vs 0.992 [95% CI: 0.978–1.00], respectively. Both classifiers demonstrated similar trends over various disease conditions, with the clearest distinction between individuals diagnosed with KD vs viral infections.

Conclusion

We successfully bridged the microarray-based classifier into the KiDs-GEP classifier, a more rapid and more cost-efficient qRT-PCR assay, bringing a diagnostic test for KD closer to the hospital clinical laboratory.

Impact

A diagnostic test is needed for Kawasaki disease and is currently not available.

We describe the development of a One-Step multiplex qRT-PCR assay and the subsequent modification (i.e., bridging) of the microarray-based host response classifier previously described by Wright et al.

The bridged KiDs-GEP classifier performs well in discriminating Kawasaki disease patients from febrile controls.

This host response clinical test for Kawasaki disease can be adapted to the hospital clinical laboratory.
Decoding lymphomyeloid divergence and immune hyporesponsiveness in G-CSF-primed human bone marrow by single-cell RNA-seq
Authors: You Guoju , Zhang Man , Bian Zhilei , Guo Huidong , Xu Zhengyang , Ni Yanli , Lan Yu , Yue Wen , Gong Yandong , Chang Yingjun , Huang Xiaojun , Liu Bing
Published: June 2022

Granulocyte colony-stimulating factor (G-CSF) has been widely used to mobilize bone marrow hematopoietic stem/progenitor cells for transplantation in the treatment of hematological malignancies for decades. Additionally, G-CSF is also accepted as an essential mediator in immune regulation, leading to reduced graft-versus-host disease following transplantation. Despite the important clinical roles of G-CSF, a comprehensive, unbiased, and high-resolution survey into the cellular and molecular ecosystem of the human G-CSF-primed bone marrow (G-BM) is lacking so far. Here, we employed single-cell RNA sequencing to profile hematopoietic cells in human bone marrow from two healthy donors before and after 5-day G-CSF administration. Through unbiased bioinformatics analysis, our data systematically showed the alterations in the transcriptional landscape of hematopoietic cells in G-BM, and revealed that G-CSF-induced myeloid-biased differentiation initiated from the stage of lymphoid-primed multipotent progenitors. We also illustrated the cellular and molecular basis of hyporesponsiveness of T cells and natural killer (NK) cells caused by G-CSF stimulation, including the potential direct mechanisms and indirect regulations mediated by ligand–receptor interactions. Taken together, our data extend the understanding of lymphomyeloid divergence and potential mechanisms involved in hyporesponsiveness of T and NK cells in human G-BM, which might provide basis for optimization of stem cell transplantation in hematological malignancy treatment.
Dynamical phase-field model of coupled electronic and structural processes
Authors: Yang Tiannan , Chen Long-Qing
Published: June 2022

Many functional and quantum materials derive their functionality from the responses of both their electronic and lattice subsystems to thermal, electric, and mechanical stimuli or light. Here we propose a dynamical phase-field model for predicting and modeling the dynamics of simultaneous electronic and structural processes and the accompanying mesoscale pattern evolution under static or ultrafast external stimuli. As an illustrative example of application, we study the transient dynamic response of ferroelectric domain walls excited by an ultrafast above-bandgap light pulse. We discover a two-stage relaxational electronic carrier evolution and a structural evolution containing multiple oscillational and relaxational components across picosecond to nanosecond timescales. The phase-field model offers a general theoretical framework which can be applied to a wide range of functional and quantum materials with interactive electronic and lattice orders and phase transitions to understand, predict, and manipulate their ultrafast dynamics and rich mesoscale evolution dynamics of domains, domain walls, and charges.
A multi-scale time-series dataset with benchmark for machine learning in decarbonized energy grids
Authors: Zheng Xiangtian , Xu Nan , Trinh Loc , Wu Dongqi , Huang Tong , Sivaranjani S. , Liu Yan , Xie Le
Published: June 2022

The electric grid is a key enabling infrastructure for the ambitious transition towards carbon neutrality as we grapple with climate change. With deepening penetration of renewable resources, the reliable operation of the electric grid becomes increasingly challenging. In this paper, we present PSML, a first-of-its-kind open-access multi-scale time-series dataset, to aid in the development of data-driven machine learning (ML)-based approaches towards reliable operation of future electric grids. The dataset is synthesized from a joint transmission and distribution electric grid to capture the increasingly important interactions and uncertainties of the grid dynamics, containing power, voltage and current measurements over multiple spatio-temporal scales. Using PSML, we provide state-of-the-art ML benchmarks on three challenging use cases of critical importance to achieve: (i) early detection, accurate classification and localization of dynamic disturbances; (ii) robust hierarchical forecasting of load and renewable energy; and (iii) realistic synthetic generation of physical-law-constrained measurements. We envision that this dataset will provide use-inspired ML research in safety-critical systems, while simultaneously enabling ML researchers to contribute towards decarbonization of energy sectors.
Characterization of subtilosin gene in wild type Bacillus spp. and possible physiological role
Authors: Alajlani Muaaz Mutaz
Published: June 2022

In a designed study to screen for antimicrobial exhibiting bacteria using molecular aspects, Bacillus species were considered to investigate antibiotic biosynthesis genes. 28 bacterial strains and 3 induced mutants were screened for the presence of subtilosin gene (sbo) and subtilosin through PCR and Mass spectrometry respectively. Sbo gene was detected in 16 out of 28 Bacillus strains. The results from gene sequences deliberated by multiple sequence alignments revealed high-level homology to the sequences of the sbo-alb gene locus of B. subtilis 168 and the other limited reported strains. Hence, this report provided additional strains to support the idea of subtilosin gene predominance amongst Bacillus strains isolated from environment and to find different species containing homologous genes, furthermore the utilization of its conserved region as a means of identifying Bacillus spp. that produce subtilosin. This is the first report to confirm the detection of subtilosin production from B. amyloliquefaciens.
Post combustion CO2 capture with calcium and lithium hydroxide
Authors: Costagliola Maria Antonietta , Prati Maria Vittoria , Perretta Giuseppe
Published: June 2022

A small-scale plant was built for measuring the ability of solid sorbents towards the capture of carbon dioxide (CO2) in exhaust flue gas from an internal combustion engine. The investigated sorbents were calcium and lithium hydroxides. Both sorbents are low cost and used in the breathing gas purification systems. The carbonation capacity of each sorbent was measured for different sorbent granulometry (pellets and powder), different temperature (from ambient up to 300 °C), gas space velocity, moisture content and chemical composition of the gaseous stream. The aim was, in fact, to expose the sorbents to a gas stream with chemical and physical parameters close to those at the exhaust of an internal combustion engine. Carbonation capacity was measured with a double technique: on-line by continuously CO2 measurement with a non-dispersive infrared analyzer and off-line by using scanning electron microscopy on carbonated sorbents. Experimental results showed good CO2 uptake capacity of calcium hydroxide at low temperature (between 20 and 150 °C). Performance improvements came from the fine granulometry due to the increased exposed surface area; moreover, the presence of the moisture in gas stream also enhanced CO2 capture. The presence of sulphur dioxide and nitric oxide, instead, greatly decreased the carbonation capacity of sorbents.
The impact of Rhodiola rosea on biomarkers of diabetes, inflammation, and microbiota in a leptin receptor-knockout mouse model
Authors: Jafari Mahtab , Juanson Arabit Jasmin Grace , Courville Robert , Kiani Dara , Chaston John M. , Nguyen Cindy Duy , Jena Nilamani , Liu Zhong-Ying , Tata Prasanthi , Van Etten Richard A.
Published: June 2022

Type 2 diabetes is the most prevalent endocrine disease in the world, and recently the gut microbiota have become a potential target for its management. Recent studies have illustrated that this disease may predispose individuals to certain microbiome compositions, and treatments like metformin have been shown to change gut microbiota and their associated metabolic pathways. However, given the limitations and side effects associated with pharmaceuticals currently being used for therapy of diabetes, there is a significant need for alternative treatments. In this study, we investigated the effects of a root extract fromRhodiola roseain a Leptin receptor knockout (db/db) mouse model of type 2 diabetes. Our previous work showed thatRhodiola roseahad anti-inflammatory and gut microbiome-modulating properties, while extending lifespan in several animal models. In this study, treatment withRhodiola roseaimproved fasting blood glucose levels, altered the response to exogenous insulin, and decreased circulating lipopolysaccharide and hepatic C-reactive protein transcript levels. We hypothesize that these changes may in part reflect the modulation of the microbiota, resulting in improved gut barrier integrity and decreasing the translocation of inflammatory biomolecules into the bloodstream. These findings indicate thatRhodiola roseais an attractive candidate for further research in the management of type 2 diabetes.
Non-classical light state transfer in su(2) resonator networks
Authors: Espinosa A. F. Muñoz , Lee R.-K. , Rodríguez-Lara B. M.
Published: June 2022

We use a normal mode approach to show full and partial state transfer in a class of coupled resonator networks with underlying su(2) symmetry that includes the so-called $$J_{x}$$

J
x

photonic lattice. Our approach defines an auxiliary Hermitian coupling matrix describing the network that yields the normal modes of the system and its time evolution in terms of orthogonal polynomials. Our results provide insight on the full quantum state reconstruction time in a general su(2) network of any size and the full quantum transfer time in the $$J_{x}$$

J
x

network of size $$4 n + 1$$

4
n
+
1

with $$n=1,2,3,\ldots$$

n
=
1
,
2
,
3
,
…

For any other network sizes, the Fock state probability distribution of the initial state is conserved but the amplitudes suffer a phase shift proportional to $$\pi /2$$

π
/
2

that results in partial quantum state transfer.
NTN4 as a prognostic marker and a hallmark for immune infiltration in breast cancer
Authors: Yi Lili , Lei Yongqiang , Yuan Fengjiao , Tian Conghui , Chai Jian , Gu Mingliang
Published: June 2022

Netrin-4 (NTN4), a member of neurite guidance factor family, can promote neurite growth and elongation. This study aims to investigate if NTN4 correlates with prognosis and immune infiltration in breast cancer. The prognostic landscape of NTN4 and its relationship with immune infiltration in breast cancer were deciphered with public databases and immunohistochemistry (IHC) in tissue samples. The expression profiling and prognostic value of NTN4 were explored using UALCAN, TIMER, Kaplan–Meier Plotter and Prognoscan databases. Based on TIMER, relationships of NTN4 expression with tumor immune invasion and immune cell surface markers were evaluated. Transcription and survival analyses of NTN4 in breast cancer were investigated with cBioPortal database. The STRING database was explored to identify molecular functions and signaling pathways downstream of NTN4. NTN4 expression was significantly lower in invasive breast carcinoma compared with adjacent non-malignant tissues. Promoter methylation of NTN4 exhibited different patterns in breast cancer. Low expression of NTN4 was associated with poorer survival. NTN4 was significantly positively related to infiltration of CD8+ T cells, macrophages and neutrophils, whereas significantly negatively related to B cells and tumor purity. Association patterns varied with different subtypes. Various associations between NTN4 levels and immune cell surface markers were revealed. Different subtypes of breast cancer carried different genetic alterations. Mechanistically, NTN4 was involved in mediating multiple biological processes including morphogenesis and migration.
A novel machine learning model to predict respiratory failure and invasive mechanical ventilation in critically ill patients suffering from COVID-19
Authors: Bendavid Itai , Statlender Liran , Shvartser Leonid , Teppler Shmuel , Azullay Roy , Sapir Rotem , Singer Pierre
Published: June 2022

In hypoxemic patients at risk for developing respiratory failure, the decision to initiate invasive mechanical ventilation (IMV) may be extremely difficult, even more so among patients suffering from COVID-19. Delayed recognition of respiratory failure may translate into poor outcomes, emphasizing the need for stronger predictive models for IMV necessity. We developed a two-step model; the first step was to train a machine learning predictive model on a large dataset of non-COVID-19 critically ill hypoxemic patients from the United States (MIMIC-III). The second step was to apply transfer learning and adapt the model to a smaller COVID-19 cohort. An XGBoost algorithm was trained on data from the MIMIC-III database to predict if a patient would require IMV within the next 6, 12, 18 or 24 h. Patients’ datasets were used to construct the model as time series of dynamic measurements and laboratory results obtained during the previous 6 h with additional static variables, applying a sliding time-window once every hour. We validated the adaptation algorithm on a cohort of 1061 COVID-19 patients from a single center in Israel, of whom 160 later deteriorated and required IMV. The new XGBoost model for the prediction of the IMV onset was trained and tested on MIMIC-III data and proved to be predictive, with an AUC of 0.83 on a shortened set of features, excluding the clinician’s settings, and an AUC of 0.91 when the clinician settings were included. Applying these models “as is” (no adaptation applied) on the dataset of COVID-19 patients degraded the prediction results to AUCs of 0.78 and 0.80, without and with the clinician’s settings, respectively. Applying the adaptation on the COVID-19 dataset increased the prediction power to an AUC of 0.94 and 0.97, respectively. Good AUC results get worse with low overall precision. We show that precision of the prediction increased as prediction probability was higher. Our model was successfully trained on a specific dataset, and after adaptation it showed promise in predicting outcome on a completely different dataset. This two-step model successfully predicted the need for invasive mechanical ventilation 6, 12, 18 or 24 h in advance in both general ICU population and COVID-19 patients. Using the prediction probability as an indicator of the precision carries the potential to aid the decision-making process in patients with hypoxemic respiratory failure despite the low overall precision.
Design, synthesis, in vitro α-glucosidase inhibition, docking, and molecular dynamics of new phthalimide-benzenesulfonamide hybrids for targeting type 2 diabetes
Authors: Askarzadeh Mohammad , Azizian Homa , Adib Mehdi , Mohammadi-Khanaposhtani Maryam , Mojtabavi Somayeh , Faramarzi Mohammad Ali , Sajjadi-Jazi Sayed Mahmoud , Larijani Bagher , Hamedifar Haleh , Mahdavi Mohammad
Published: June 2022

In the present work, a new series of 14 novel phthalimide-benzenesulfonamide derivatives 4a–n were synthesized, and their inhibitory activity against yeast α-glucosidase was screened. The obtained results indicated that most of the newly synthesized compounds showed prominent inhibitory activity against α-glucosidase. Among them, 4-phenylpiperazin derivative 4m exhibited the strongest inhibition with the IC50 value of 52.2 ± 0.1 µM. Enzyme kinetic study of compound 4m proved that its inhibition mode was competitive and Ki value of this compound was calculated to be 52.7 µM. In silico induced fit docking and molecular dynamics studies were performed to further investigate the interaction, orientation, and conformation of the target compounds over the active site of α-glucosidase. Obtained date of these studies demonstrated that our new compounds interacted as well with the α-glucosidase active site with the acceptable binding energies. Furthermore, in silico druglikeness/ADME/Toxicity studies of compound 4m were performed and predicted that this compound is druglikeness and has good ADME and toxicity profiles.
Integrative transcriptome-wide analysis of atopic dermatitis for drug repositioning
Authors: Song Jaeseung , Kim Daeun , Lee Sora , Jung Junghyun , Joo Jong Wha J. , Jang Wonhee
Published: June 2022

Atopic dermatitis (AD) is one of the most common inflammatory skin diseases, which significantly impact the quality of life. Transcriptome-wide association study (TWAS) was conducted to estimate both transcriptomic and genomic features of AD and detected significant associations between 31 expression quantitative loci and 25 genes. Our results replicated well-known genetic markers for AD, as well as 4 novel associated genes. Next, transcriptome meta-analysis was conducted with 5 studies retrieved from public databases and identified 5 additional novel susceptibility genes for AD. Applying the connectivity map to the results from TWAS and meta-analysis, robustly enriched perturbations were identified and their chemical or functional properties were analyzed. Here, we report the first research on integrative approaches for an AD, combining TWAS and transcriptome meta-analysis. Together, our findings could provide a comprehensive understanding of the pathophysiologic mechanisms of AD and suggest potential drug candidates as alternative treatment options.
Modelling systemic COVID-19 impacts in cities
Authors: Beevers Lindsay , Bedinger Melissa , McClymont Kerri , Morrison David , Aitken Gordon , Visser-Quinn Annie
Published: June 2022

The COVID-19 pandemic has impacted public health, the economy and society—both directly and indirectly. Few approaches exist to understand these complex impacts in a way that (1) acknowledges cross-sectoral interdependencies; (2) models how short-term shocks translate into impacts on longer-term outcomes; (3) builds in local, contextual variation; and (4) recognises a wide set of priorities. The Urban Systems Abstraction Hierarchy (USAH) is proposed as an approach with these capabilities, and applied to Edinburgh (UK) between March-October 2020 to identify city-level impacts of the pandemic and associated policy responses. Results show changing priorities in the system and suggest areas which should be targeted for future urban resilience planning in Edinburgh for both short-term shocks and long-term recovery. This makes both methodological contributions (in the form of testing a new complex systems approach) and practical contributions (in the form of city-specific results which inform different aspects of resilience) to urban science.
Observations of submesoscale eddy-driven heat transport at an ice shelf calving front
Authors: Friedrichs Drew M. , McInerney Jasmin B. T. , Oldroyd Holly J. , Lee Won Sang , Yun Sukyoung , Yoon Seung-Tae , Stevens Craig L. , Zappa Christopher J. , Dow Christine F. , Mueller Derek , Sepúlveda Steiner Oscar , Forrest Alexander L.
Published: June 2022

Antarctica’s ice shelves buttress the continent’s terrestrial ice, helping slow the loss of grounded ice into the ocean and limiting sea level rise. Ice-ocean interaction plays a critical role in ice shelf stability by driving basal melt rates. Consequently, improved prediction of the future state of ice shelves lies in understanding the coastal ocean mechanics that deliver heat to their cavities. Here, we present autonomous glider-based observations of a coherent structure at the calving front of a cold-water cavity ice shelf (Nansen Ice Shelf, East Antarctica). This ~10 km-wide eddy dominated the local ocean circulation in the austral summer of 2018/2019, promoting an upwelling of cold ice shelf water and a deepening of warm surface water. Microstructure turbulence measurements show a resulting maximum vertical heat transport of 10 W m−2 at depths equivalent to the ice shelf draft. Similar eddy-driven heat transport further into the ice shelf cavity would support enhanced summertime melt in regions of shallower ice draft.
Bulk photovoltaic effect in GaNGeC quaternary compound semiconductors
Authors: Lou Ping , Lee Jin Yong
Published: June 2022

Compared to the p–n junction photovoltaic effect, the bulk photovoltaic effect is a potential way to overcome the external limitations of solar energy conversion.
Labeling and sequencing nucleic acid modifications using bio-orthogonal tools
Authors: Liu Hui , Wang Yafen , Zhou Xiang
Published: June 2022

Labeling nucleic acid modifications using bio-orthogonal tools, then sequencing and imaging the labeled modifications in DNA and RNA.
Microemulsions for the covalent patterning of graphene
Authors: Naranjo Alicia , Martín Sabanés Natalia , Vázquez Sulleiro Manuel , Pérez Emilio M.
Published: June 2022

Emulsions are used as templates to pattern graphene covalently. When exposing graphene to a microemulsion, some regions are in contact with the aqueous phase which contains the reagent, while the rest are exposed to the oil phase and do not react.
Twisted push–pull disilenes obtained by direct 1,2-hydro/chloroborylation of a silylone
Authors: Koike Taichi , Iwamoto Takeaki
Published: June 2022

Twisted 1-amino-2-boryl disilenes which feature highly polarized SiSi bonds were synthesized by the direct hydro/chloroborylation of a silylene-stabilized monatomic silicon complex.
Improved performance of the pyrimidine-modified porous In-MOF and anin situprepared composite Ag@In-MOF material
Authors: Jin Jing , Xue Juanjuan , Wu Dan , Yang Guoping , Wang Yaoyu
Published: June 2022

The composite Ag@1 was obtained in the synthesis process of porous In-MOF 1 with addition of AgNO3,viathein situreduction of Ag(i) to Ag NPs. MOF 1 and Ag@1 had great gas selective sorption and CO2catalytic conversion capacity.
Selective recognition of A/T-rich DNA 3-way junctions with a three-fold symmetric tripeptide
Authors: Gómez-González Jacobo , Martínez-Castro Laura , Tolosa-Barrilero Juan , Alcalde-Ordóñez Ana , Learte-Aymamí Soraya , Mascareñas José L. , García-Martínez Joaquín C. , Martínez-Costas José , Maréchal Jean-Didier , Vázquez López Miguel , Vázquez M. Eugenio
Published: June 2022

We describe a new approach to target non-canonical DNA 3-Way Junctions (3WJs) that relies on the cooperative and sequence-selective recognition of A/T-rich duplex DNA branches by three AT-Hook peptides attached to a three-fold symmetric and fluorogenic 1,3,5-tristyrylbenzene core.
Design of aD3h-symmetry prismatic tris-(ferrocene-1,1′-diyl) molecular cage bearing boronate ester linkages
Authors: Krzyżanowski Maurycy , Nowicka Anna M. , Kazimierczuk Krzysztof , Durka Krzysztof , Luliński Sergiusz , Kasprzak Artur
Published: June 2022

AD3h-symmetry prismatic tris-(ferrocene-1,1′-diyl) molecular cage has been synthesized and characterized, and the mechanism behind its synthesis has been studied with DFT methods.
A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine
Authors: Li Yahui , Su Linan , Yang Dawei , Di Kai , Wang Baomin , Qu Jingping
Published: June 2022

A structurally well-characterized thiolate-bridged RuMo complex featuring terminal nitrido and bridging amido ligands was obtained by the N–N and N–H bond cleavage of hydrazine.
Ni2P nanowire arrays grown on Ni foam as an efficient monolithic cocatalyst for visible light dye-sensitized H2 evolution
Authors: Wang Fang , Liu Tongliang , Liu Zhaoting , Zhang Zhengguo , Min Shixiong
Published: June 2022

A high-performance monolithic cocatalyst is developed by directly growing high-density Ni2P nanowire arrays on Ni foam (Ni2P NWAs/NF) for the dye-sensitized photocatalytic HER.
Organopnictogen(iii) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity
Authors: Duneş Gabriel , Soran Albert , Silvestru Cristian
Published: June 2022

A family of new hypercoordinated organopnictogen(iii) di(thiolates), RPn(SC6H3Me2-2,6)2 (Pn = Sb, Bi; R = NCN-pincer ligand), has been prepared and their reactivity towards chalcogens and iodine has been investigated.
Synthesis and characterization of maleimide functionalized poly(3,4-ethylenedioxythiophene) (PEDOT) polymers
Authors: Sitarik Peter , Nagane Samadhan S. , Chhatre Shrirang , Wu Yuhang , Baugh Quintin , Martin David C.
Published: June 2022

Electrochemical deposition of maleimide-functionalized 3,4-ethylenedioxythiophene (EDOT+) monomers and their conducting polymer derivatives (PEDOT+). PEDOT+ can be created by depositing EDOT-MA, or by exposing PEDOT-MA to the functionalized thiol.
Biphenyl scaffold for the design of NMDA-receptor negative modulators: molecular modeling, synthesis, and biological activity
Authors: Karlov Dmitry S. , Temnyakova Nadezhda S. , Vasilenko Dmitry A. , Barygin Oleg I. , Dron Mikhail Y. , Zhigulin Arseniy S. , Averina Elena B. , Grishin Yuri K. , Grigoriev Vladimir V. , Gabrel'yan Alexey V. , Aniol Viktor A. , Gulyaeva Natalia V. , Osipenko Sergey V. , Kostyukevich Yury I. , Palyulin Vladimir A. , Popov Petr A. , Fedorov Maxim V.
Published: June 2022

The activity of biphenyl-based NMDA receptor allosteric modulator identified in virtual screening (IC50 = 5 μM) was improved 100 times (IC50 = 50 nM); SAR is consistent with ifenprodil analogs.
Rbm20 ablation is associated with changes in the expression of titin-interacting and metabolic proteins
Authors: Larson Eli J. , Gregorich Zachery R. , Zhang Yanghai , Li Brad H. , Aballo Timothy J. , Melby Jake A. , Ge Ying , Guo Wei
Published: June 2022

Label-free quantitative proteomics identifies molecular correlates of dilated cardiomyopathy in rats lacking the muscle-specific splicing factor Rbm20.
Pressure-induced photoluminescence enhancement of CeF3:Tb3+ nanoparticles
Authors: Zhao Tingting , Jing Xiaoling , Zhang Xueting , Li Chenyi , Liu Ran , Liu Bo , Yang Chunxu , Shen Longhai , Li Quanjun , Liu Bingbing
Published: June 2022

Pressure-induced photoluminescence enhancement was discovered in CeF3:Tb3+ nanoparticles, and is related to the phase transition from the hexagonal to the orthorhombic phase.
Optical and thermal responses of silicene in Xene heterostructures
Authors: Bonaventura Eleonora , Dhungana Daya S. , Martella Christian , Grazianetti Carlo , Macis Salvatore , Lupi Stefano , Bonera Emiliano , Molle Alessandro
Published: June 2022

Buffering silicene with a stanene interlayer proves to be effective in breaking its strong interaction with the supporting Ag(111) substrate. Unprecedented optothermal response of silicene discloses new applications in thermoelectrics and plasmonics.
A true color palette: binary metastable photonic pigments
Authors: Zhou Likang , Fei Junhao , Fang Wei , Shao Luqing , Liu Qianjiang , He Huiwen , Ma Meng , Shi Yanqin , Chen Si , Wang Xu
Published: June 2022

Different from the traditional concept that binary photonic crystals can only reproduce mixed colors by simple superposition of PBGs, precisely addressable “true colors” obtained from binary metastable photonic crystals are reported here.
Sonochemical synthesis of ZnCo2O4/Ag3PO4 heterojunction photocatalysts for the degradation of organic pollutants and pathogens: a combined experimental and computational study
Authors: Nawaz Muhammad , Ansari Mohammad Azam , Paz Alejandro Pérez , Hisaindee Soleiman , Qureshi Faiza , Ul-Hamid Anwar , Hakeem Abbas Saeed , Taha Muhammad
Published: June 2022

A ZnCo2O4/Ag3PO4 nanocomposite with high photocatalytic activity against pollutants and pathogens was sonochemically prepared, characterized using various techniques and simulated computationally.
Palladium-catalyzed direct C–H thiolation of 2-pyridyl sulfoxide with disulfides
Authors: Yadav Mamta , Sarma Bibek , Jat Ram Singh , Bhanuchandra M.
Published: June 2022

Palladium-catalyzed C–H thiolation of aryl 2-pyridyl sulfoxide with diaryl disulfides has been achieved.
Application of a CuS/Au heterostructure with peroxidase-like activity in immunosensors
Authors: Li Pengli , Wang Min , Jiang Mingzhe , Lai Wenjing , Li Jiajia , Liu Kailin , Li Hongling , Hong Chenglin
Published: June 2022

This work synthesized CuS–Au heterojunction by galvanic substitution method. The synthesis method is green and simple. CuS NPs exhibit remarkable oxidase-like activity. The immunosensor prepared under the optimized conditions has excellent analytical performance.
The synthesis of porous graphitic carbon nitride with N3C nitrogen vacancies by a CaCO3 template for improved photocatalytic H2 evolution
Authors: Yang Xiaohang , Wang Xinzhe , Yang Jiaming , Bian Xingbo , Yu Xueli , Huo Xuyang , Qi Qiuju , Jia Ruokun
Published: June 2022

Porous graphitic carbon nitride with nitrogen vacancies (N–CN) has been successfully synthesized using a facile CaCO3 template method.
TEMPO mediated oxidative annulation of aryl methyl ketones with amines/ammonium acetate for imidazole synthesis
Authors: Geng Furong , Wu Shaofeng , Gan Xinyang , Hou Wenjuan , Dong Jianyu , Zhou Yongbo
Published: June 2022

A facile synthesis of 1H- and 2H-imidazoles mediated by TEMPO was developed directly from aryl methyl ketones.
Novel pyridine-based covalent organic framework containing N,N,N-chelating sites for selective detection and effective removal of nickel
Authors: Li Yongqiang , Wang Quan , Ju Yuhua , Li Yarong , Zhang Yanbo , Hu Ronggui
Published: June 2022

A novel pyridine-based COF material with functional N,N,N chelating sites has been designed and synthesized, which has the dual functions of fluorescence detection and efficient removal of Ni2+ from aqueous solution.
Ultrasmall Ir nanoclusters on MnO2 nanorods for pH-universal oxygen evolution reactions and rechargeable zinc–air batteries
Authors: Liu Zhe , Liu Yonggang , Liu Shilong , Liu Sanchuan , Tang Yujun , Tang Zhenghua
Published: June 2022

Ultrasmall Ir nanoclusters on MnO2 nanorods are facilely prepared for high-efficiency pH-universal oxygen evolution reactions and rechargeable zinc–air batteries.
Dos and don’ts in screening water splitting electrocatalysts
Authors: Anantharaj Sengeni , Noda Suguru
Published: June 2022

A perspective with an explicit account of the appropriate screening of water splitting electrocatalysts advocating dos and don’ts!
PKN2 deficiency leads both to prenatal ‘congenital’ cardiomyopathy and defective angiotensin II stress responses
Authors: Marshall Jacqueline J.T. , Cull Joshua J. , Alharbi Hajed O. , Zaw Thin May , Cooper Susanna T.E. , Barrington Christopher , Vanyai Hannah , Snoeks Thomas , Siow Bernard , Suáarez-Bonnet Alejandro , Herbert Eleanor , Stuckey Daniel J. , Cameron Angus J.M. , Prin Fabrice , Cook Andrew C. , Priestnall Simon L. , Chotani Sonia , Rackham Owen J. L. , Meijles Daniel N. , Mohun Tim , Clerk Angela , Parker Peter J.
Published: June 2022

The protein kinase PKN2 is required for embryonic development and PKN2 knockout mice die as a result of failure in the expansion of mesoderm, cardiac development and neural tube closure. In the adult, cardiomyocyte PKN2 and PKN1 (in combination) are required for cardiac adaptation to pressure-overload. The specific role of PKN2 in contractile cardiomyocytes during development and its role in the adult heart remain to be fully established. We used mice with cardiomyocyte-directed knockout of PKN2 or global PKN2 haploinsufficiency to assess cardiac development and function using high resolution episcopic microscopy, MRI, micro-CT and echocardiography. Biochemical and histological changes were also assessed. Cardiomyocyte-directed PKN2 knockout embryos displayed striking abnormalities in the compact myocardium, with frequent myocardial clefts and diverticula, ventricular septal defects and abnormal heart shape. The sub-Mendelian homozygous knockout survivors developed cardiac failure. RNASeq data showed up-regulation of PKN2 in patients with dilated cardiomyopathy, suggesting an involvement in adult heart disease. Given the rarity of homozygous survivors with cardiomyocyte-specific deletion of PKN2, the requirement for PKN2 in adult mice was explored using the constitutive heterozygous PKN2 knockout. Cardiac hypertrophy resulting from hypertension induced by angiotensin II was reduced in these haploinsufficient PKN2 mice relative to wild-type littermates, with suppression of cardiomyocyte hypertrophy and cardiac fibrosis. It is concluded that cardiomyocyte PKN2 is essential for heart development and the formation of compact myocardium and is also required for cardiac hypertrophy in hypertension. Thus, PKN signalling may offer therapeutic options for managing congenital and adult heart diseases.
A model predictive control strategy based on energy storage grid‐connected quasi‐z‐source inverters
Authors: Li Lixiong , Yang Tongguang , Yuan Yueyang , Cai Zhenhua
Published: June 2022

The battery energy stored quasi‐Z‐source (BES‐qZS) based photovoltaic (PV) power generation system combines advantages of the qZS inverter and the battery energy storage (BES) system. To realize multi‐objective cooperative control, a model predictive control (MPC) strategy for the PV grid‐connected system based on an energy‐storage quasi‐Z source inverter (ES‐qZSI) is proposed. The energy storage battery is added to the traditional quasi‐Z source inverter (qZSI). The MPC strategy is adopted to realize maximum power point tracking (MPPT), battery, and point of common coupling (PCC) tripartite energy control in a single‐stage conversion system. The discrete‐time model of ES‐qZSI is derived, and the cost function was constructed by using the system state variables. The PV power MPPT module, the battery power management module, and the PCC power module are designed to generate the reference signal of the prediction function. Finally, the proposed algorithm was validated by simulation. The theoretical analysis and simulation results were consistent.
Design of a stand‐alone 1000‐kW biogas power plant from codigestion of organic waste and microalgae grown in a tubular photo bioreactor at Bomaka‐Buea
Authors: Nchindia Fonge Emmanuel
Published: June 2022

Buea is connected to the south interconnected grid (SIG) of Cameroon. But the power supply is unreliable, not accessible to all and of very low quality. In addition, solid municipal waste generated in Buea is poorly collected by Hysacam and dumped at Musaka with no further valorization. There is an acute need to improve on the quantity, reliability and quality of the power supplied to inhabitants of Buea as well as to improve on the environmental management system of the town. In this study a project is proposed to design a stand‐alone 1000‐kW biogas power plant from the codigestion of organic fraction of solid municipal waste with microalgae (Chorella Sorokiniana) grown in tubular photo bioreactor (PBR) in Bomaka‐Buea. As far as electrical energy production is concerned, the aforementioned anaerobic biological treatment unit will produce almost 9311.88 MWh/y. Assuming an average electricity consumption of 3 to 4 MWh/y/household the annual produced electrical energy from the anaerobic digestion (AD) unit could supply almost 3000 to 4000 households in the Municipality of Buea. So by treating the 39% of annual organic waste produced in Buea it can cover between 31.3% and 31.8% of Buea municipality's electrical energy demand. With a levellized cost of electricity at 0.265 $/kW and a net present value of 25.3million dollars if this energy is sold to the national grid then the annual profit of energy production will be around $4,188,888/y (assuming a selling price of 0.36 $/kWh) that is valid now in Cameroon.
Optimal communication‐aided protection of meshed smart grids considering stability constraints of distributed generations incorporating optimal selection of relay characteristics
Authors: Aghaei Hamidreza , Hashemi‐Dezaki Hamed
Published: June 2022

The optimized protective systems for smart grids and microgrids have received much attention in recent years. However, besides other selectivity constraints, less attention has been paid to synchronous generators’ stability concerns. The stability challenges are intensified in meshed grids compared to radial configurations. The literature review shows that a knowledge gap exists in introducing a communication‐aided protective scheme for meshed smart grids, considering the stability constraints. This study tries to fill such a research gap by proposing an optimal protection system using the communication links between directional overcurrent relays on both sides of protection zones/distribution lines. Assigning the optimum standard characteristics to protective relays is another contribution. The introduced study is applied to the distribution portion of the IEEE 30‐bus test system. The proposed method is implemented in DIgSILENT and MATLAB to perform the power system simulations and solve the optimization problem. The comparative test results infer that the proposed communication‐aided scheme results in a 49.57% improvement in speed of the protection system, while there is no stability constraint violation compared to conventional communication‐free schemes. Test results highlight the advantages of this research to meet the stability constraints of distributed generations and selectivity constraints simultaneously.
Impacts of integration of very large‐scale photovoltaic power plants on rotor angle and frequency stability of power system
Authors: Rezaei Javad , Golshan Mohamad Esmail Hamedani , Alhelou Hassan Haes
Published: June 2022

The increase in penetration of large‐scale renewable generation significantly affects power system characteristics. Thus, it is necessary to assess the steady state and dynamic performance of a power system for different installing scenarios of renewable power plants such as photovoltaic (PV) ones. The paper specifically investigates the impacts of very large‐scale photovoltaic (VLS‐PV) generation on the power system dynamic performance including rotor‐angle and frequency stabilities. For this purpose, a detailed equivalent dynamic model for a multi‐unit VLS‐PV system and corresponding controllers are developed. The paper also proposes a comprehensive set of replacement scenarios comprising different PV penetration, location, and voltage control strategies as well as simulating various large disturbances. To investigate the impacts of VLS‐PV generation on dynamic system performance, a study framework for frequency and rotor‐angle stability involving the modal and transient analysis is presented as well. By using the VLS‐PV detailed model along with other dynamic components of a power system such as synchronous generators, automatic voltage regulators (AVRs), and governors, the stabilities studying instructions are employed for the IEEE 39‐bus and 118‐bus test systems.
Discovery of optical and infrared accretion disc wind signatures in the black hole candidate MAXI J1348–630
Authors: Panizo-Espinar G. , Armas Padilla M. , Muñoz-Darias T. , Koljonen K. I. I. , Cúneo V. A. , Sánchez-Sierras J. , Mata Sánchez D. , Casares J. , Corral-Santana J. , Fender R. P. , Jiménez-Ibarra F. , Ponti G. , Steeghs D. , Torres M. A. P.
Published: June 2022

MAXI J1348–630 is a low mass X-ray binary discovered in 2019 during a bright outburst. During this event, the system experienced both hard and soft states following the standard evolution. We present multi-epoch optical and near-infrared spectroscopy obtained with X-shooter at the Very Large Telescope. Our dataset includes spectra taken during the brightest phases of the outburst as well as the decay towards quiescence. We study the evolution of the main emission lines, paying special attention to the presence of features commonly associated with accretion disc winds, such as blueshifted absorptions, broad emission line wings and flat-top profiles. We find broad emission line wings in Hα during the hard-to-soft transition and blueshifted absorption troughs at ∼ − 500 km s−1 in Hβ, He I–5876, Hα and Paβ during the bright soft-intermediate state. In addition, flat-top profiles are seen throughout the outburst. We interpret these observables as signatures of a cold (i.e., optical-to-infrared) accretion disc wind present in the system. We discuss the properties of the wind and compare them with those seen in other X-ray transients. In particular, the wind velocity that we observe is low when compared to those of other systems, which might be a direct consequence of the relatively low binary inclination, as suggested by several observables. This study strengthens the hypothesis that cold winds are a common feature in low mass X-ray binaries and that they can also be detected in low inclination objects via high-quality optical and infrared spectroscopy.
Important stellar perturbers found during the StePPeD database update based on Gaia EDR3 data
Authors: Dybczyński Piotr A. , Berski Filip , Tokarek Jakub , Podlewska-Gaca Edyta , Langner Krzysztof , Bartczak Przemysław
Published: June 2022

Context. In 2020, the initial version of the Stellar Potential Perturbers Database (StePPeD) was presented with the aim to deliver up-to-date information on the stars and stellar systems that may perturb a long-period comet motion. We used the minimal distance between a star and the Sun as a selecting tool when compiling a list of interesting objects with close encounters with the Solar System, and our selection for that study was based on Gαiα DR2 data.

Aims. When the Gaia EDR3 data release was published, it became necessary to update this database. Additionally, we performed Monte Carlo simulations to obtain uncertainties on the parameters of the closest approach to the Sun of each object.

Methods. We recalculated the close approach parameters of all stars in the previous StePPeD release, which resulted in removing approximately one-third of the total. Then we searched for new candidates in the whole Gaia EDR3 catalogue. We also take into account the duplicity of the found stars and additionally searched for double stars passing near the Sun which had been overlooked in previous papers. We also found the necessary mass estimates for new objects and updated this information for previously selected stars.

Results. After a careful checking of all the collected data, we composed a new list of 155 potential stellar perturbers of the long-period comet motion. We applied a new threshold of 2 pc for the minimum star-Sun distance. This list consists of 146 single stars and nine multiple systems. For each object, we also estimated the uncertainty of the parameters of their closest approach to the Sun. Among these stars, we found a new potential strong past perturber, HD 7977, and confirmed the plausibility of a similar action on the part of Gliese 710 in the future.