bluuebunny/crossref_metadata_2025 huggingface dataset:
Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics
Authors: Ullah Arif , Dral Pavlo O.
Published: April 2022

Exploring excitation energy transfer (EET) in light-harvesting complexes (LHCs) is essential for understanding the natural processes and design of highly-efficient photovoltaic devices. LHCs are open systems, where quantum effects may play a crucial role for almost perfect utilization of solar energy. Simulation of energy transfer with inclusion of quantum effects can be done within the framework of dissipative quantum dynamics (QD), which are computationally expensive. Thus, artificial intelligence (AI) offers itself as a tool for reducing the computational cost. Here we suggest AI-QD approach using AI to directly predict QD as a function of time and other parameters such as temperature, reorganization energy, etc., completely circumventing the need of recursive step-wise dynamics propagation in contrast to the traditional QD and alternative, recursive AI-based QD approaches. Our trajectory-learning AI-QD approach is able to predict the correct asymptotic behavior of QD at infinite time. We demonstrate AI-QD on seven-sites Fenna–Matthews–Olson (FMO) complex.
Spectral analysis of product formulas for quantum simulation
Authors: Yi Changhao , Crosson Elizabeth
Published: April 2022

We consider the time-independent Hamiltonian simulation using the first order Lie–Trotter–Suzuki product formula under the assumption that the initial state is supported on a low-dimension subspace. By comparing the spectral decomposition of the original Hamiltonian and the effective Hamiltonian, we obtain better upper bounds for various conditions. Especially, we show that the Trotter step size needed to estimate an energy eigenvalue within precision ϵ using quantum phase estimation can be improved in scaling from ϵ to ϵ1/2 for a large class of systems. Our results also depend on the gap condition of the simulated Hamiltonian.
Mycobacterium avium-intracellulare complex promote release of pro-inflammatory enzymes matrix metalloproteinases by inducing neutrophil extracellular trap formation
Authors: Nakamura Kota , Nakayama Hitoshi , Sasaki Shinichi , Takahashi Kazuhisa , Iwabuchi Kazuhisa
Published: April 2022

The prevalence of and mortality from non-tuberculous mycobacteria (NTM) infections have been steadily increasing worldwide. Most NTM infections are caused byMycobacterium avium-intracellularecomplex (MAC). MAC can escape from killing by neutrophils, which are professional phagocytes. However, the involvement of neutrophils in the pathogenesis of MAC infection is poorly understood. The present study assessed the roles of neutrophil extracellular trap (NET) formation in neutrophil defense mechanisms against infection with MAC strains, includingM. aviumisolated from patients with severe or mild lung tissue destruction. Although all MAC induced NET formation, non-pathogenic mycobacteria (M. gordonaeandM. smegmatis) slightly but not significantly induced NET formation. Peptidylarginine deiminase 4 (PAD4) inhibitor reduced MAC-induced NET formation but did not affect MAC escape from neutrophils. PAD4 inhibition attenuated the MAC-induced matrix metalloproteinase (MMP)-8 and 9 release to the levels of MMPs from non-pathogenic mycobacteria. MAC also induced interleukin (IL)-8 release by neutrophils, a process independent of MAC-induced NET formation. Taken together, these findings suggest that MAC induce NET formation, IL-8 release and NETs-dependent release of MMP-8 and -9 from neutrophils, leading to neutrophil accumulation and further inflammation, thereby enhancing the progression of infection in the lungs.
Socioeconomic status impacts cognitive and socioemotional processes in healthy ageing
Authors: Migeot Joaquín , Calivar Mariela , Granchetti Hugo , Ibáñez Agustín , Fittipaldi Sol
Published: April 2022

Socioeconomic status (SES) negatively impacts cognitive and executive functioning in older adults, yet its effects on socioemotional abilities have not been studied in this population. Also, evidence on neurocognitive processes associated with ageing primarily comes from Western, educated, industrialized, rich, and democratic (WEIRD) populations, hindering the generalization of findings to persons from upper-middle- and low‐middle‐income countries, such as those of Latin America. Here, we compared the performance of low- and high-SES older adults from Argentina in cognitive state, executive functions, social cognition (emotion recognition and theory of mind), and counter-empathic social emotions (envy and Schadenfreude; displeasure at others’ fortune and pleasure at others’ misfortune, respectively). Subsequently, we developed a path analysis to test the relationship among those variables in a theoretically plausible model and tested the main paths via multiple regression analyses. Relative to the high-SES group, low-SES older adults showed poorer performance on all assessed domains. Convergent evidence from covariance analysis, path analysis, and linear regressions suggested that low-SES impact on socioemotional processes was not primary but mediated by cognitive and executive impairment. These findings offer the first characterization of SES impacts on cognitive and socioemotional processes in a non-WEIRD population and have relevant equity-related implications for brain health.
Learning-based cable coupling effect modeling for robotic manipulation of heavy industrial cables
Authors: Mou Fangli , Wang Bin , Wu Dan
Published: April 2022

The robotic manipulation of a heavy industrial cable is challenging to model and control because of the high number of degrees of freedom and the rigid-flexible coupling dynamics. In this paper, we report the development of modeling the cable effect and control methodology for robotic cable manipulation. Our cable effect model is based on the 2D convolutional neural network, which is a deep learning-based method uses the effective cable representation method to achieve the accurate, generalizable, and efficient estimation of the cable coupling forces and torques. Practical problems such as the measurement limits and time efficiency are considered in our method for real applications. With these approaches, we are the first to solve the problem of dynamic payload effect caused by heavy industrial cables in experimental cases. The used control methodology combines the active disturbance rejection control framework with the sliding mode control method, which can acquire promising tracking performance. We integrate our cable effect model into the control scheme, and demonstrate it satisfies the high-quality robotic manipulation of heavy cables. The performance of the proposed method is assessed with both a simulated system and real robot system. The results show that our method can estimate the cable coupling effect with over 85% accuracy and accomplish manipulation with a positioning error less than 0.01 mm. This reveals that our method is promising for robotic manipulation of heavy industrial cables and can accomplish the challenging cable insertion task.
Life cycle assessment of biocemented sands using enzyme induced carbonate precipitation (EICP) for soil stabilization applications
Authors: Alotaibi Emran , Arab Mohamed G. , Abdallah Mohamed , Nassif Nadia , Omar Maher
Published: April 2022

Integrating sustainability goals into the selection of suitable soil stabilization techniques is a global trend. Several bio-inspired and bio-mediated soil stabilization techniques have been recently investigated as sustainable alternatives for traditional techniques known for their high carbon footprint. Enzyme Induced Carbonate Precipitation (EICP) is an emerging bio-inspired soil stabilization technology that is based on the hydrolysis of urea to precipitate carbonates that cement sand particles. A life cycle assessment (LCA) study was conducted to compare the use of traditional soil stabilization using Portland cement (PC) with bio-cementation via EICP over a range of environmental impacts. The LCA results revealed that EICP soil treatment has nearly 90% less abiotic depletion potential and 3% less global warming potential compared to PC in soil stabilization. In contrast, EICP in soil stabilization has higher acidification and eutrophication potentials compared to PC due to byproducts during the hydrolysis process. The sensitivity analysis of EICP emissions showed that reducing and controlling the EICP process emissions and using waste non-fate milk has resulted in significantly fewer impacts compared to the EICP baseline scenario. Moreover, a comparative analysis was conducted between EICP, PC, and Microbial Induced Carbonate Precipitation (MICP) to study the effect of treated soil compressive strength on the LCA findings. The analysis suggested that EICP is potentially a better environmental option, in terms of its carbon footprint, at lower compressive strength of the treated soils.
Identification of lamprey variable lymphocyte receptors that target the brain vasculature
Authors: Lajoie Jason M. , Katt Moriah E. , Waters Elizabeth A. , Herrin Brantley R. , Shusta Eric V.
Published: April 2022

The blood–brain barrier (BBB) represents a significant bottleneck for the delivery of therapeutics to the central nervous system. In recent years, the promise of coopting BBB receptor-mediated transport systems for brain drug delivery has increased in large part due to the discovery and engineering of BBB-targeting antibodies. Here we describe an innovative screening platform for identification of new BBB targeting molecules from a class of lamprey antigen recognition proteins known as variable lymphocyte receptors (VLRs). Lamprey were immunized with murine brain microvessel plasma membranes, and the resultant repertoire cloned into the yeast surface display system. The library was screened via a unique workflow that identified 16 VLR clones that target extracellular epitopes of in vivo-relevant BBB membrane proteins. Of these, three lead VLR candidates, VLR-Fc-11, VLR-Fc-30, and VLR-Fc-46 selectively target the brain vasculature and traffic within brain microvascular endothelial cells after intravenous administration in mice, with VLR-Fc-30 being confirmed as trafficking into the brain parenchyma. Epitope characterization indicates that the VLRs, in part, recognize sialylated glycostructures. These promising new targeting molecules have the potential for brain targeting and drug delivery with improved brain vascular specificity.
Selection of a novel strain of Christensenella minuta as a future biotherapy for Crohn’s disease
Authors: Relizani Karima , Le Corf Katy , Kropp Camille , Martin-Rosique Rebeca , Kissi Déborah , Déjean Guillaume , Bruno Lisa , Martinez Ccori , Rawadi Georges , Elustondo Frédéric , Mazier Wilfrid , Claus Sandrine P.
Published: April 2022

Microbiome-based therapies for inflammatory bowel diseases offer a novel and promising therapeutic approach. The human commensal bacteria of the species Christensenella minuta (C. minuta) have been reported consistently missing in patients affected by Crohn’s disease (CD) and have been documented to induce anti-inflammatory effects in human epithelial cells, supporting their potential as a novel biotherapy. This work aimed at selecting the most promising strain of C. minuta for future development as a clinical candidate for CD therapy. Here, we describe a complete screening process combining in vitro and in vivo assays to conduct a rational selection of a live strain of C. minuta with strong immunomodulatory properties. Starting from a collection of 32 strains, a panel of in vitro screening assays was used to narrow it down to five preclinical candidates that were further screened in vivo in an acute TNBS-induced rat colitis model. The most promising candidate was validated in vivo in two mouse models of colitis. The validated clinical candidate strain, C. minuta DSM 33715, was then fully characterized. Hence, applying a rationally designed screening algorithm, a novel strain of C. minuta was successfully identified as the most promising clinical candidate for CD.
Isolating motile sperm cell sorting using biocompatible electrospun membranes
Authors: Katigbak Roberto D. , Dumée Ludovic F. , Kong Lingxue
Published: April 2022

Motility is an indicator of sperm cell viability due to higher probability in swimming through the female reproductive tract and undergo fertilization with the egg cell. Centrifugation method is a technique to process high volume semen and isolate motile sperm cells but decreases the biochemical integrity of spermatozoa due to the contact with reactive oxygen species (ROS) from dead cells released during centrifugation. This study uses solution electrospun poly(ε-caprolactone) membranes as an alternative in isolating motile spermatozoa by utilizing a rationally designed 3D printed module set up, providing the same benefits as commercially available techniques with minimal processing time, and bypassing the centrifugation step to provide higher quality sperm cells. The membranes, with nominal pore size distributions ranging from 5 to 6 µm are highly porous structures suitable for establishing baseline data for sperm cell sorting by motility. The proposed method allows for isolation of motile sperm cells with 74% purity, while decreasing the processing time by 98% when compared to centrifugation techniques. This novel approach provides a facile method for isolating motile spermatozoa directly from frozen semen samples without any pretreatments and is easily scalable for small and medium scale farms as well as larger industries.
Exploring the effect of the primary care health workers number on infectious diarrhea morbidity and where the health resources should go
Authors: Guan Xujing , Lan Tianjiao , Liao Weibin , Wu Xue’er , Pan Jay
Published: April 2022

We aimed to explore the association between the number of primary healthcare workers and infectious diarrhea morbidity at community levels and to provide evidence-based implications for optimizing primary healthcare manpower resource allocations. We collected annual infectious diarrhea morbidity and relevant data of 4321 communities in Sichuan Province, China, from 2017 to 2019. Global and local Moran’s I were calculated to detect the spatial clustering of infectious diarrhea morbidity and to identify areas where increased primary healthcare manpower resources should be allocated. The spatial lag fixed effects panel data model was adopted to explore the association between the number of primary healthcare workers per 1000 residents and infectious diarrhea morbidity. Significantly high–high and low–low clusters of infectious diarrhea cases were found to be mainly distributed in underdeveloped and developed areas during the studied period years, respectively. The infectious diarrhea morbidity was found to be statistically negatively associated with the number of primary healthcare workers per 1000 residents with a coefficient of − 0.172, indicating that a 0.172 reduction of infectious diarrhea morbidity (1/10,000) was associated with doubled amounts of primary healthcare workers per 1000 residents. Our findings highlighted the role of primary healthcare in the process of infectious diarrhea prevention and control, and implied that constant efforts should be addressed to facilitate infectious diarrhea prevention and control, especially in the underdeveloped areas.
Effects of experimentally induced cervical spine mobility alteration on the postural organisation of gait initiation
Authors: Delafontaine A. , Vialleron T. , Diakhaté D. G. , Fourcade P. , Yiou E.
Published: April 2022

Gait initiation (GI), the transient period between quiet standing and locomotion, is a functional task classically used in the literature to investigate postural control. This study aimed to investigate the influence of an experimentally-induced alteration of cervical spine mobility (CSM) on GI postural organisation. Fifteen healthy young adults initiated gait on a force-plate in (1) two test conditions, where participants wore a neck orthosis that passively simulated low and high levels of CSM alteration; (2) one control condition, where participants wore no orthosis; and (3) one placebo condition, where participants wore a cervical bandage that did not limit CSM. Centre-of-pressure and centre-of-mass kinematics were computed based on force-plate recordings according to Newton’s second law. Main results showed that anticipatory postural adjustments amplitude (peak backward centre-of-pressure shift and forward centre-of-mass velocity at toe-off) and motor performance (step length and forward centre-of-mass velocity at foot-contact) were altered under the condition of high CSM restriction. These effects of CSM restriction may reflect the implementation of a more cautious strategy directed to attenuate head-in-space destabilisation and ease postural control. It follows that clinicians should be aware that the prescription of a rigid neck orthosis to posturo-deficient patients could exacerbate pre-existing GI deficits.
Structural definition of a pan-sarbecovirus neutralizing epitope on the spike S2 subunit
Authors: Hurlburt Nicholas K. , Homad Leah J. , Sinha Irika , Jennewein Madeleine F. , MacCamy Anna J. , Wan Yu-Hsin , Boonyaratanakornkit Jim , Sholukh Anton M. , Jackson Abigail M. , Zhou Panpan , Burton Dennis R. , Andrabi Raiees , Ozorowski Gabriel , Ward Andrew B. , Stamatatos Leonidas , Pancera Marie , McGuire Andrew T.
Published: April 2022

Three betacoronaviruses have crossed the species barrier and established human-to-human transmission causing significant morbidity and mortality in the past 20 years. The most current and widespread of these is SARS-CoV-2. The identification of CoVs with zoonotic potential in animal reservoirs suggests that additional outbreaks could occur. Monoclonal antibodies targeting conserved neutralizing epitopes on diverse CoVs can form the basis for prophylaxis and therapeutic treatments and enable the design of vaccines aimed at providing pan-CoV protection. We previously identified a neutralizing monoclonal antibody, CV3-25 that binds to the SARS-CoV-2 spike, neutralizes the SARS-CoV-2 Beta variant comparably to the ancestral Wuhan Hu-1 strain, cross neutralizes SARS-CoV-1 and binds to recombinant proteins derived from the spike-ectodomains of HCoV-OC43 and HCoV-HKU1. Here, we show that the neutralizing activity of CV3-25 is maintained against the Alpha, Delta, Gamma and Omicron variants of concern as well as a SARS-CoV-like bat coronavirus with zoonotic potential by binding to a conserved linear peptide in the stem-helix region. Negative stain electron microscopy and a 1.74 Å crystal structure of a CV3-25/peptide complex demonstrates that CV3-25 binds to the base of the stem helix at the HR2 boundary to an epitope that is distinct from other stem-helix directed neutralizing mAbs.
Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase
Authors: Koulouris Chloe R. , Gardiner Sian E. , Harris Tessa K. , Elvers Karen T. , Mark Roe S. , Gillespie Jason A. , Ward Simon E. , Grubisha Olivera , Nicholls Robert A. , Atack John R. , Bax Benjamin D.
Published: April 2022

Human serine racemase (hSR) catalyses racemisation of L-serine to D-serine, the latter of which is a co-agonist of the NMDA subtype of glutamate receptors that are important in synaptic plasticity, learning and memory. In a ‘closed’ hSR structure containing the allosteric activator ATP, the inhibitor malonate is enclosed between the large and small domains while ATP is distal to the active site, residing at the dimer interface with the Tyr121 hydroxyl group contacting the α-phosphate of ATP. In contrast, in ‘open’ hSR structures, Tyr121 sits in the core of the small domain with its hydroxyl contacting the key catalytic residue Ser84. The ability to regulate SR activity by flipping Tyr121 from the core of the small domain to the dimer interface appears to have evolved in animals with a CNS. Multiple X-ray crystallographic enzyme-fragment structures show Tyr121 flipped out of its pocket in the core of the small domain. Data suggest that this ligandable pocket could be targeted by molecules that inhibit enzyme activity.
Wuschel2 enables highly efficient CRISPR/Cas-targeted genome editing during rapid de novo shoot regeneration in sorghum
Authors: Che Ping , Wu Emily , Simon Marissa K. , Anand Ajith , Lowe Keith , Gao Huirong , Sigmund Amy L. , Yang Meizhu , Albertsen Marc C. , Gordon-Kamm William , Jones Todd J.
Published: April 2022

For many important crops including sorghum, use of CRISPR/Cas technology is limited not only by the delivery of the gene-modification components into a plant cell, but also by the ability to regenerate a fertile plant from the engineered cell through tissue culture. Here, we report thatWuschel2 (Wus2)-enabled transformation increases not only the transformation efficiency, but also the CRISPR/Cas-targeted genome editing frequency in sorghum (Sorghum bicolor L.). UsingAgrobacterium-mediated transformation, we have demonstratedWus2-induced direct somatic embryo formation and regeneration, bypassing genotype-dependent callus formation and significantly shortening the tissue culture cycle time. This method also increased the regeneration capacity that resulted in higher transformation efficiency across different sorghum varieties. Subsequently, advanced excision systems and “altruistic” transformation technology have been developed to generate high-quality morphogenic gene-free and/or selectable marker-free sorghum events. Finally, we demonstrate up to 6.8-fold increase in CRISPR/Cas9-mediated gene dropout frequency usingWus2-enabled transformation, compared to withoutWus2, across various targeted loci in different sorghum genotypes.
Inferring the size of a collective of self-propelled Vicsek particles from the random motion of a single unit
Authors: De Lellis Pietro , Porfiri Maurizio
Published: April 2022

Inferring the size of a collective from the motion of a few accessible units is a fundamental problem in network science and interdisciplinary physics. Here, we recognize stochasticity as the commodity traded in the units’ interactions. Drawing inspiration from the work of Einstein-Perrin-Smoluchowski on the discontinuous structure of matter, we use the random motion of one unit to identify the footprint of every other unit. Just as the Avogadro’s number can be determined from the Brownian motion of a suspended particle in a liquid, the size of the collective can be inferred from the random motion of any unit. For self-propelled Vicsek particles, we demonstrate an inverse proportionality between the diffusion coefficient of the heading of any particle and the size of the collective. We provide a rigorous method to infer the size of a collective from measurements of a few units, strengthening the link between physics and collective behavior.
Temperature dependence of diffusiophoresis via a novel microfluidic approach
Authors: Shah Parth R. , Tan Huanshu , Taylor David , Tang Xiaoyu , Shi Nan , Mashat Afnan , Abdel-Fattah Amr , Squires Todd M.
Published: April 2022

Our manuscript uses a novel microfluidic approach to measure diffusiophoretic mobilities as a function of temperature, which match with the theoretical predictions based on electrophoretically measured zeta potentials.
In situ integration of Te/Si 2D/3D heterojunction photodetectors toward UV-vis-IR ultra-broadband photoelectric technologies
Authors: Lu Jianting , Zhang Lingjiao , Ma Churong , Huang Wenjing , Ye Qiaojue , Yi Huaxin , Zheng Zhaoqiang , Yang Guowei , Liu Chuan , Yao Jiandong
Published: April 2022

A Te/Si heterojunction photodetector array has been in situ constructed by performing pulsed-laser deposition of a Te nanofilm on a pre-patterned 2-inch SiO2/Si wafer, exhibiting ultra-broadband photosensitivity from ultraviolet to infrared.
Microfluidic-supported synthesis of anisotropic polyvinyl methacrylate nanoparticles via interfacial agents
Authors: Visaveliya Nikunjkumar R. , Kelestemur Seda , Khatoon Firdaus , Xu Jin , Leo Kelvin , St. Peter Lauren , Chan Christopher , Mikhailova Tatiana , Bexheti Visar , Kapadia Ashni , Maity Piyali , Carbery William P. , Ng Kara , Eisele Dorthe M.
Published: April 2022

By combining the advantages of microfluidics and bulk batch synthesis, we developed a single-step, microfluidic-supported synthesis for anisotropic polyvinyl methacrylate (PVMA) polymer nanoparticles with dimensions ranging from 200 nm to 50 nm.
Student thinking profiles within a small group addressing problems in thermodynamics as part of a physical chemistry unit: reflections for students and instructors
Authors: Charles de Berg Kevin
Published: April 2022

This paper reports on how a group of students think when trying to solve a set of thermodynamic revision exercises in the context of collaborative small group conversation at the undergraduate level. The revision exercises involved exploring the relationship between enthalpy and temperature, entropy and temperature, and entropy of a gas under compression. Four students enrolled in a science or science teaching degree comprised the group. Two workshops, conducted about one month apart, were convened and student and instructor diaries were used to explore the thinking profiles illuminated in the diaries. The thinking profiles fitted into the categories: routine-level, object-level, process-level and meta-level. A surprisingly large amount of meta-level thinking was exhibited by the students. It was found advantageous to add adjectival qualifiers to object-level and process-level profiles to more fully interpret what the students had to say. The qualifiers were: incoherent, intuitive, algorithmic, and integrative. The workshops proved beneficial not only to the students but also to the instructor. The use of equations like mixes the result of a definite integral symbolic format (left-hand side) with the indefinite integral symbolic format (right-hand side), and leads to students finding it difficult to distinguish between H, dH, and ΔH for enthalpy and S, dS, and ΔS for entropy. Students communicated their feelings freely and there was a general consensus within the group that the workshops were really beneficial.
π-Topology and ultrafast excited-state dynamics of remarkably photochemically stabilized pentacene derivatives with radical substituents
Authors: Minami Nishiki , Yoshida Kohei , Maeguchi Keijiro , Kato Ken , Shimizu Akihiro , Kashima Genta , Fujiwara Masazumi , Uragami Chiasa , Hashimoto Hideki , Teki Yoshio
Published: April 2022

π-Topologically different pentacene derivatives (1m and 1p) exhibited remarkable photochemical stability owing to the ultrafast ICS induced by a π-radical substituent. The relationship between the π-topology and the photostability is discussed.
Exploring the reactivity of homoleptic organozincs towards SO2: synthesis and structure of a homologous series of organozinc sulfinates
Authors: Tulewicz Adam , Szejko Vadim , Justyniak Iwona , Wolska-Pietkiewicz Małgorzata , Lewiński Janusz
Published: April 2022

Systematic studies on the insertion of SO2 into the Zn-C bond were performed. The direct trapping of a series of R2Zn compounds with SO2 provided a homologous series of diverse [(RSO2)ZnR] species that can be hardly obtained with alternative methods.
Stoichiometry modulates the optoelectronic functionality of zinc phosphide (Zn3−xP2+x)
Authors: Stutz Elias Z. , Ramanandan Santhanu P. , Flór Mischa , Paul Rajrupa , Zamani Mahdi , Escobar Steinvall Simon , Sandoval Salaiza Diego Armando , Xifra Montesinos Clàudia , Spadaro Maria Chiara , Leran Jean-Baptiste , Litvinchuk Alexander P. , Arbiol Jordi , Fontcuberta i Morral Anna , Dimitrievska Mirjana
Published: April 2022

Zinc phosphide (Zn3P2) is a promising material for photovoltaic applications. Here, we investigate the effect of stoichiometry variations and defects on the structural and optoelectronic properties of monocrystalline Zn3P2.
Cilo-seq: highly sensitive cell-in-library-out single-cell transcriptome sequencing with digital microfluidics
Authors: Zhang Qianqian , Xu Xing , Lin Li , Yang Jian , Na Xing , Chen Xin , Wu Lingling , Song Jia , Yang Chaoyong
Published: April 2022

We described Cilo-seq for high-performance scRNA-seq library construction in a single device with programmed and addressable droplet handling based on digital microfluidics, which allowed simultaneously convenient single-cell isolation, efficient nucleic acid amplification, low-loss nucleic acid purification and high-quality library preparation.
Microwave-accelerated and benzoyl peroxide (BPO)-initiated cyclization of 1,5-enynes having cyano groups with cyclic alkanes under metal-free conditions
Authors: Ruan Shuchen , Zhou Chao , Li Laiqiang , Wang Lei , Liu Jie , Li Pinhua
Published: April 2022

A simple and efficient method for preparing exocyclic indan derivatives, with this method involving benzoyl peroxide (BPO)-initiated cyclization of 1,5-enynes having cyano groups with cyclic alkanes under microwave irradiation, was developed.
Catalytic redox-neutral C–H functionalisation with TEMPO in water to access aminomethyl-substituted pyrroles
Authors: Cariello Silva Guilherme , de Souza Gabriela F. P. , Salles Airton G.
Published: April 2022

A redox-neutral C–H functionalisation in water employing catalytic TEMPO to synthesize aminomethyl-substituted pyrroles is reported.
Strategic design of a bifunctional Ag(i)-grafted NHC-MOF for efficient chemical fixation of CO2 from a dilute gas under ambient conditions
Authors: Das Rajesh , Parihar Vaibhav , Nagaraja C. M.
Published: April 2022

Facile grafting of catalytically active Ag(i) into CO2-philic NHC-MOF for simultaneous capture and conversion of CO2 from dilute gas to value-added α-alkylidene cyclic carbonate and oxazolidinones under mild conditions is demonstrated.
Highly enantioselective δ-protonation and formal [3 + 3] annulation promoted by N-heterocyclic carbene
Authors: Dong Mengdie , Duan Xiao-Yong , Li Yanting , Liu Binghao , Qi Jing
Published: April 2022

A chiral NHC catalyst reacts with α,β-γ,δ-diunsaturated aldehydes to generate an extended Breslow intermediate. Upon δ-protonation and tautomerization, the resulting α,β-unsaturated acyl azolium undergoes [3 + 3] annulation with enamines to afford various dihydropyridinones.
Construction of chiral chroman skeletons via catalytic asymmetric [4 + 2] cyclization of ortho-hydroxyphenyl-substituted para-quinone methides catalyzed by a chiral-at-metal rhodium complex
Authors: Yang Jian , Ming Siliang , Yao Gang , Yu Haifeng , Du Yu , Gong Jun
Published: April 2022

Construction of chiral chroman skeletons via catalytic asymmetric [4 + 2] cyclization of ortho-hydroxyphenyl-substituted p-QMs catalyzed by a chiral-at-metal rhodium complex.
New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity
Authors: Wu Zhi-li , Li Jia-yu , Huang Peng-li , Sun Ze-shi , Li Hui-liang , Zhang Wei-dong
Published: April 2022

Eleven undescribed ent-kaurane-type diterpenoid acids, namely noueinsiancins A–K (1–11), together with sixteen related known analogs (12–27) were isolated from Nouelia insignis Franch.
First principles study of optoelectronic and photocatalytic performance of novel transition metal dipnictide XP2 (X = Ti, Zr, Hf) monolayers
Authors: Ahmad Sheraz , Shahid Ismail , Shehzad Nasir , Khan W. , Din H. U. , Idrees M. , Amin B. , Laref A.
Published: April 2022

Low cost and highly efficient two dimensional materials as photocatalysts are gaining much attention to utilize solar energy for water splitting and produce hydrogen fuel as an alternative to deal with the energy crisis and reduce environmental hazards.
Correction: Highly sensitive and selective colorimetric detection of dual metal ions (Hg2+ and Sn2+) in water: an eco-friendly approach
Authors: Paw Rintumoni , Hazarika Moushumi , Boruah Purna K. , Kalita Amlan Jyoti , Guha Ankur K. , Das Manash R. , Tamuly Chandan
Published: April 2022

Correction for ‘Highly sensitive and selective colorimetric detection of dual metal ions (Hg2+ and Sn2+) in water: an eco-friendly approach’ by Rintumoni Paw et al., RSC Adv., 2021, 11, 14700–14709, DOI: 10.1039/D0RA09926K.
[Ni30S16(PEt3)11]: an open-shell nickel sulfide nanocluster with a “metal-like” core
Authors: Touchton Alexander J. , Wu Guang , Hayton Trevor W.
Published: April 2022

The atomically-precise nanocluster, [Ni30S16(PEt3)11], features a compact “metal-like” core indicative of a high degree of Ni–Ni bonding, along with an open-shell ground state.
Self-assembled monodisperse FeSe2 microflowers as an advanced anode material for sodium ion batteries
Authors: Li Shengkai , Zhang Shangshang , Liu Zhenjiang , Yang Changsheng , Zhang Shuqi , Zhang Haiyan
Published: April 2022

Monodisperse FeSe2 microflowers are synthesized by a one-step facile solvothermal method and exhibit excellent electrochemical performance as anode materials for Na-ion batteries.
A phosphonated phenol-formaldehyde-based high-temperature proton exchange membrane with intrinsic protonic conductors and proton transport channels
Authors: Hao Xiaofeng , Li Zhen , Xiao Min , Han Dongmei , Huang Sheng , Xi Guan , Wang Shuanjin , Meng Yuezhong
Published: April 2022

Phosphonated phenol-formaldehyde was first introduced into polybenzimidazole to obtain a high-temperature proton exchange membrane which synchronously has sufficient intrinsic protonic conductors and long-range proton transport channels.
Modulation of the coordination environment enhances the electrocatalytic efficiency of Mo single atoms toward water splitting
Authors: Cheng Chih-Chieh , Yeh Yong-Xian , Ting Yu-Chieh , Lin Shin-Hong , Sasaki Kotaro , Choi YongMan , Lu Shih-Yuan
Published: April 2022

Enhancing the catalytic efficiency through engineering active site environments is demonstrated for Mo single atom catalysts toward catalyzation of the hydrogen evolution reaction.
Self-assembled d-arginine derivatives based on click chemical reactions for intracellular codelivery of antigens and adjuvants for potential immunotherapy
Authors: He Xiao , Qu Yannv , Lin Xiaohong , Sun Jiapan , Jiang Zhiru , Wang Chaodong , Deng Yuanfei , Yan Fei , Sun Yansun
Published: April 2022

Functional d-arginine derivatives as building blocks of nanocarriers have been optimized for biomacromolecule intracellular delivery, which significantly increased the immune response.
Bottlebrush copolymers for gene delivery: influence of architecture, charge density, and backbone length on transfection efficiency
Authors: Floyd Thomas G. , Song Ji-Inn , Hapeshi Alexia , Laroque Sophie , Hartlieb Matthias , Perrier Sébastien
Published: April 2022

The influence of polymer architecture of cationic polymers on gene transfection is investigated. Bottle brush copolymers are shown to outperform linear counterparts.
Allosteric pluripotency: challenges and opportunities
Authors: Akimoto Madoka , Martinez Pomier Karla , VanSchouwen Bryan , Byun Jung Ah , Khamina Mariia , Melacini Giuseppe
Published: April 2022

Allosteric pluripotency arises when the functional response of an allosteric receptor to an allosteric stimulus depends on additional allosteric modulators. Here, we discuss allosteric pluripotency as observed in the prototypical Protein Kinase A (PKA) as well as in other signaling systems, from typical multidomain signaling proteins to bacterial enzymes. We identify key drivers of pluripotent allostery and illustrate how hypothesizing allosteric pluripotency may solve apparent discrepancies currently present in the literature regarding the dual nature of known allosteric modulators. We also outline the implications of allosteric pluripotency for cellular signaling and allosteric drug design, and analyze the challenges and opportunities opened by the pluripotent nature of allostery.
How ‘omics technologies can drive plant engineering, ecosystem surveillance, human and animal health
Authors: Hurgobin Bhavna , Lewsey Mathew G.
Published: April 2022

‘Omics describes a broad collection of research tools and techniques that enable researchers to collect data about biological systems at a very large, or near-complete, scale. These include sequencing of individual and community genomes (genomics, metagenomics), characterization and quantification of gene expression (transcriptomics), metabolite abundance (metabolomics), protein content (proteomics) and phosphorylation (phospho-proteomics), amongst many others. Though initially exploited as tools for fundamental discovery, ‘omics techniques are now used extensively in applied and translational research, for example in plant and animal breeding, biomarker development and drug discovery. In this collection of reviews, we aimed to introduce readers to current and future applications of ‘omics technologies to solve real-world problems.
Analysis of Attention, Processing, and Visual Search in Adults With Traumatic Brain Injury: A Preliminary Study
Authors: Riccardi Jessica Salley , Thiessen Amber , Brown Jessica
Published: April 2022

Purpose:

Some adults with underlying cognitive and visual deficits following traumatic brain injury (TBI) have difficulty locating items in visuographic materials. Given that many external supports depict content through multiple modalities, understanding how individuals with cognitive or visual deficits interpret content is crucial for designing and selecting supports. The purpose of this exploratory study was to evaluate the scanning, attention, and processing behaviors of adults with TBI during visual searches.

Method:

Participants included nine adults with TBI and nine controls. Participants viewed 24 grid (5 × 5) displays on an eye tracker under two conditions (i.e., text and icons) and located target items.

Results:

Participants collectively exhibited more difficulty scanning for and processing iconic stimuli than text stimuli. More efficient searches increased the likelihood of a successful search, regardless of condition.

Conclusions:

These findings have implications for clinicians and researchers who evaluate, select, and create visuographic supports. Layouts should be individualized to the person's strengths and challenges in visual search. Direct instructions should be provided to adults with TBI to increase their ability to successfully search and use visuographic supports. Further research will help elucidate whether the presentation of content in different layouts or representing various word classes (e.g., adjectives and verbs) prompts additional scanning and processing challenges.
Automatic detection of small-scale EUV brightenings observed by the Solar Orbiter/EUI
Authors: Alipour N. , Safari H. , Verbeeck C. , Berghmans D. , Auchère F. , Chitta L. P. , Antolin P. , Barczynski K. , Buchlin É. , Aznar Cuadrado R. , Dolla L. , Georgoulis M. K. , Gissot S. , Harra L. , Katsiyannis A. C. , Long D. M. , Mandal S. , Parenti S. , Podladchikova O. , Petrova E. , Soubrié É. , Schühle U. , Schwanitz C. , Teriaca L. , West M. J. , Zhukov A. N.
Published: April 2022

Context. Accurate detections of frequent small-scale extreme ultraviolet (EUV) brightenings are essential to the investigation of the physical processes heating the corona.

Aims. We detected small-scale brightenings, termed campfires, using their morphological and intensity structures as observed in coronal EUV imaging observations for statistical analysis.

Methods. We applied a method based on Zernike moments and a support vector machine (SVM) classifier to automatically identify and track campfires observed by Solar Orbiter/Extreme Ultraviolet Imager (EUI) and Solar Dynamics Observatory (SDO)/Atmospheric Imaging Assembly (AIA).

Results. This method detected 8678 campfires (with length scales between 400 km and 4000 km) from a sequence of 50 High Resolution EUV telescope (HRIEUV) 174 Å images. From 21 near co-temporal AIA images covering the same field of view as EUI, we found 1131 campfires, 58% of which were also detected in HRIEUV images. In contrast, about 16% of campfires recognized in HRIEUV were detected by AIA. We obtain a campfire birthrate of 2 × 10−16 m−2 s−1. About 40% of campfires show a duration longer than 5 s, having been observed in at least two HRIEUV images. We find that 27% of campfires were found in coronal bright points and the remaining 73% have occurred out of coronal bright points. We detected 23 EUI campfires with a duration greater than 245 s. We found that about 80% of campfires are formed at supergranular boundaries, and the features with the highest total intensities are generated at network junctions and intense H I Lyman-α emission regions observed by EUI/HRILya. The probability distribution functions for the total intensity, peak intensity, and projected area of campfires follow a power law behavior with absolute indices between 2 and 3. This self-similar behavior is a possible signature of self-organization, or even self-organized criticality, in the campfire formation process.
Zero-phase angle asteroid taxonomy classification using unsupervised machine learning algorithms
Authors: Colazo M. , Alvarez-Candal A. , Duffard R.
Published: April 2022

Context. We are in an era of large catalogs and, thus, statistical analysis tools for large data sets, such as machine learning, play a fundamental role. One example of such a survey is the Sloan Moving Object Catalog (MOC), which lists the astrometric and photometric information of all moving objects captured by the Sloan field of view. One great advantage of this telescope is represented by its set of five filters, allowing for taxonomic analysis of asteroids by studying their colors. However, until now, the color variation produced by the change of phase angle of the object has not been taken into account.

Aims. In this paper, we address this issue by using absolute magnitudes for classification. We aim to produce a new taxonomic classification of asteroids based on their magnitudes that is unaffected by variations caused by the change in phase angle.

Methods. We selected 9481 asteroids with absolute magnitudes of Hg, Hi and Hz, computed from the Sloan Moving Objects Catalog using the HG*12 system. We calculated the absolute colors with them. To perform the taxonomic classification, we applied a unsupervised machine learning algorithm known as fuzzy C-means. This is a useful soft clustering tool for working with data sets where the different groups are not completely separated and there are regions of overlap between them. We have chosen to work with the four main taxonomic complexes, C, S, X, and V, as they comprise most of the known spectral characteristics.

Results. We classified a total of 6329 asteroids with more than 60% probability of belonging to the assigned taxonomic class, with 162 of these objects having been characterized by an ambiguous classification in the past. By analyzing the sample obtained in the plane Semimajor axis versus inclination, we identified 15 new V-type asteroid candidates outside the Vesta family region.
A new minimizing-movements scheme for curves of maximal slope
Authors: Stefanelli Ulisse
Published: April 2022

Curves of maximal slope are a reference gradient-evolution notion in metric spaces and arise as variational formulation of a vast class of nonlinear diffusion equations. Existence theories for curves of maximal slope are often based on minimizing-movements schemes, most notably on the Euler scheme. We present here an alternative minimizing-movements approach, yielding more regular discretizations, serving as a-posteriori convergence estimator, and allowing for a simple convergence proof.
Properties of polyamide 6 and polyvinylidene fluoride nanofibers irradiated by H+ ions
Authors: Štěpanovská Eva , Malinský Petr , Matoušek Jindřich , Poustka David , Macková Anna
Published: April 2022

This work deals with the modification of polymeric nanofibers of polyamide 6 (PA6) and polyvinylidene fluoride (PVDF) which were formed by electrospinning process. After the manufacturing process, the polymer nanofibers were exposed to the implantation of 1 MeV H+ ions on a tandem accelerator Tandetron MC 4130. The ion implantation was provided with different ion fluences (1.8; 3.7; 5.6)×1014 cm-2. Ion implantation of polymer nanofibers can modify their functional properties due to ion interaction with nanofibers changing their structure and elemental composition. H-ion interaction with nanofibers was simulated by SRIM program which shows the modification of polymers by prevailing electronic stopping. Rutherford Back-Scattering spectrometry (RBS) and Elastic Recoil Detection Analysis (ERDA) show distinct elemental modification in the irradiated layer of PVDF and PA6 nanofibers. The changes in surface chemistry was identified by X-ray Photoelectron Spectroscopy (XPS). The identified chemical changes contributed to the changes of electrical properties (increase of electrical conductivity) being measured by the standard two-point method.
An Optimized D-T neutron Generator Shielding for Prompt Gamma Ray Neutron Activation Analysis of Light Elements
Authors: Uhlář Radim , Alexa Petr
Published: April 2022

We present an MCNP analysis of optimal gamma-detector shielding materials and their thicknesses for 14 MeV D-T neutron generator for detection of light elements by prompt gamma ray neutron activation analysis. Tungsten seems to be the best choice for the primary neutron-beam shielding of a minimum thickness, but copper and iron represent an economically acceptable alternative. To shield the gamma detector against gamma rays produced from neutron interactions in the laboratory walls another shielding made from lead is necessary.
Nanoparticles embedded in a sponge of polydimethylsiloxane by laser ablation in liquid
Authors: Cutroneo Mariapompea , Havranek Vladimir , Torrisi Lorenzo , Silipigni Letteria , Kovacik Lubomir , Malinsky Petr , Flaks Josef , Slepicka Petr , Fajstavr Dominik , Janoušková Olga , Zbořilová Daniela , Mackova Anna
Published: April 2022

This work describes the preparation of polydimethylsiloxane (PDMS) sponge with pore sizes of about 50 and 900 µm. The sponges synthetized by the sugar template process were embedded with graphene oxide (GO) and gold nanoparticles (AuNPs) previously produced by laser ablation in liquid. The suspension containing graphene oxide and gold nanoparticles were optically characterized by UV-ViS spectroscopy. The dispersion of the nanoparticles in the PDMS sponges was observed by the Scanning Electron Microscopy (SEM). The biocompatibility of virgin PDMS, PDMS filled with graphene oxide, and with graphene oxide and gold nanoparticles was studied for different types of cell cultures. This study has allowed us to confirm that the PDMS sponge is a good matrix for embedding AuNPs and has highlighted as the presence of GO hinders the aggregation of AuNPs avoiding the use of surfactant and allowing their use in biological applications.
A new route to produce 52gMn with high purity for MultiModal Imaging
Authors: Carante Mario Pietro , Barbaro Francesca , Canton Luciano , Colombi Alessandro , Fontana Andrea
Published: April 2022

The 52gMn radionuclide is suitable for the innovative MultiModal Imaging technique, and in particular for a PET/MRI scan, due to its physical properties. The standard cyclotron-based production of 52gMn relies on the nuclear reaction NatCr(p,x)52gMn, but we have investigated theoretically the possibility of an alternative and competitive route, the reaction NatV(α,x)52gMn, which has not been considered for this purpose so far. By using the nuclear reaction code TALYS, we found some discrepancies between the theoretical calculations of the cross sections and the corresponding experimental data. Therefore we tuned the parameters governing the nuclear level densities in the microscopic models implemented in TALYS, thus improving the agreement with the data. Then, by studying the cross sections for 52gMn and its contaminants, we have identified an optimal energy window for the production of high purity 52gMn, around 40 MeV. We have also calculated the time evolution of the number of nuclei of the different Mn isotopes, for an irradiation in this energy window, finding that this route is expected to lead to a higher yield and Radionuclidic Purity with respect to the standard reaction with NatCr. The study suggests the reaction NatV(α,x)52gMn as a promising alternative route for the production of 52gMn.