bluuebunny/crossref_metadata_2025 huggingface dataset:
Multi-functional 2D hybrid aerogels for gas absorption applications
Authors: Androulidakis Charalampos , Kotsidi Maria , Gorgolis George , Pavlou Christos , Sygellou Labrini , Paterakis George , Koutroumanis Nick , Galiotis Costas
Published: June 2021

Aerogels have attracted significant attention recently due to their ultra-light weight porous structure, mechanical robustness, high electrical conductivity, facile scalability and their use as gas and oil absorbers. Herein, we examine the multi-functional properties of hybrid aerogels consisting of reduced graphene oxide (rGO) integrated with hexagonal boron nitride (hBN) platelets. Using a freeze-drying approach, hybrid aerogels are fabricated by simple mixing with various volume fractions of hBN and rGO up to 0.5/0.5 ratio. The fabrication method is simple, cost effective, scalable and can be extended to other 2D materials combinations. The hybrid rGO/hBN aerogels (HAs) are mechanically robust and highly compressible with mechanical properties similar to those of the pure rGO aerogel. We show that the presence of hBN in the HAs enhances the gas absorption capacities of formaldehyde and water vapour up to ~ 7 and > 8 times, respectively, as compared to pure rGO aerogel. Moreover, the samples show good recoverability, making them highly efficient materials for gas absorption applications and for the protection of artefacts such as paintings in storage facilities. Finally, even in the presence of large quantity of insulating hBN, the HAs are electrically conductive, extending the potential application spectrum of the proposed hybrids to the field of electro-thermal actuators. The work proposed here paves the way for the design and production of novel 2D materials combinations with tailored multi-functionalities suited for a large variety of modern applications.
Phenotypic and genotypic features of the Mycobacterium tuberculosis lineage 1 subgroup in central Vietnam
Authors: Le Hang Nguyen Thi , Hijikata Minako , Maeda Shinji , Miyabayashi Akiko , Wakabayashi Keiko , Seto Shintaro , Diem Nguyen Thi Kieu , Yen Nguyen Thi Thanh , Van Duc Le , Thuong Pham Huu , Van Huan Hoang , Hoang Nguyen Phuong , Mitarai Satoshi , Keicho Naoto , Kato Seiya
Published: June 2021

Mycobacterium tuberculosis (Mtb) has different features depending on different geographic areas. We collected Mtb strains from patients with smear-positive pulmonary tuberculosis in Da Nang, central Vietnam. Using a whole genome sequencing platform, including genome assembly complemented by long-read-sequencing data, genomic characteristics were studied. Of 181 Mtb isolates, predominant Vietnamese EAI4_VNM and EAI4-like spoligotypes (31.5%), ZERO strains (5.0%), and part of EAI5 (11.1%) were included in a lineage-1 (L1) sublineage, i.e., L1.1.1.1. These strains were found less often in younger people, and they genetically clustered less frequently than other modern strains. Patients infected with ZERO strains demonstrated less lung infiltration. A region in RD2bcg spanning six loci, i.e., PE_PGRS35, cfp21, Rv1985c, Rv1986, Rv1987, and erm(37), was deleted in EAI4_VNM, EAI4-like, and ZERO strains, whereas another 118 bp deletion in furA was specific only to ZERO strains. L1.1.1.1-sublineage-specific deletions in PE_PGRS4 and PE_PGRS22 were also identified. RD900, seen in ancestral lineages, was present in majority of the L1 members. All strains without IS6110 (5.0%) had the ZERO spoligo-pattern. Distinctive features of the ancestral L1 strains provide a basis for investigation of the modern versus ancestral Mtb lineages and allow consideration of countermeasures against this heterogeneous pathogen.
Ocean warming and acidification modify top-down and bottom-up control in a tropical seagrass ecosystem
Authors: Listiawati Vina , Kurihara Haruko
Published: June 2021

Seagrass ecosystem is one of the most productive ecosystems in coastal waters providing numerous ecological functions and supporting a large biodiversity. However, various anthropogenic stressors including climate change are impacting these vulnerable habitats. Here, we investigated the independent and combined effects of ocean warming and ocean acidification on plant–herbivore interactions in a tropical seagrass community. Direct and indirect effects of high temperature and high pCO2 on the physiology of the tropical seagrass Thalassia hemprichii and sea urchin Tripneustes gratilla were evaluated. Productivity of seagrass was found to increase under high pCO2, while sea urchin physiology including feeding rate decreased particularly under high temperature. The present study indicated that future climate change will affect the bottom-up and top-down balance, which potentially can modify the ecosystem functions and services of tropical seagrass ecosystems.
Role of FIB-4 for reassessment of hepatic fibrosis burden in referral center
Authors: Roh Yun Hwa , Kang Bo-Kyeong , Jun Dae Won , Lee Chul-min , Kim Mimi
Published: June 2021

Low cut-off of FIB-4 is a widely used formula to exclude advanced liver fibrosis in primary care centers. However, the range of reported threshold of FIB-4 to rule in advanced fibrosis is too broad across etiologies, and no consensus has been reached. In the present study, we investigated the role of FIB-4 for a reassessment of hepatic fibrosis burden in a referral center. We compared the diagnostic performance of FIB-4 among patients with liver disease of various causes and tried to find an optimal cut-off value for predicting advanced fibrosis. Among 1068 patients, the AUROC of FIB-4 to diagnose advanced fibrosis showed no significant difference among the various etiologies of liver disease, ranging from 0.783 to 0.821. The optimal cut-off value obtained by maximizing Youden's index was 2.68, and the sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) for predicting advanced fibrosis were 70.7%, 79.1%, 43.5%, and 92.2%, respectively. The PPV was low in patients with autoimmune disease (6.67%). When we incorporated the new cut-off of FIB-4 into abdominal ultrasound findings, 81% of unnecessary work-ups would be appropriately avoided. In conclusion, the cut-off value of 2.68 showed an acceptable PPV while maintaining a high NPV to predict advanced fibrosis, most etiology except for autoimmune diseases. This result could assist in establishing an appropriate timing to reassess the hepatic fibrosis burden during monitoring in the referral center.
Different cholinergic cell groups in the basal forebrain regulate social interaction and social recognition memory
Authors: Okada Kana , Nishizawa Kayo , Kobayashi Tomoko , Sakata Shogo , Hashimoto Kouichi , Kobayashi Kazuto
Published: June 2021

Social behaviour is a complex construct that is reported to include several components of social approach, interaction and recognition memory. Alzheimer’s disease (AD) is mainly characterized by progressive dementia and is accompanied by cognitive impairments, including a decline in social ability. The cholinergic system is a potential constituent for the neural mechanisms underlying social behaviour, and impaired social ability in AD may have a cholinergic basis. However, the involvement of cholinergic function in social behaviour has not yet been fully understood. Here, we performed a selective elimination of cholinergic cell groups in the basal forebrain in mice to examine the role of cholinergic function in social interaction and social recognition memory by using the three-chamber test. Elimination of cholinergic neurons in the medial septum (MS) and vertical diagonal band of Broca (vDB) caused impairment in social interaction, whereas ablating cholinergic neurons in the nucleus basalis magnocellularis (NBM) impaired social recognition memory. These impairments were restored by treatment with cholinesterase inhibitors, leading to cholinergic system activation. Our findings indicate distinct roles of MS/vDB and NBM cholinergic neurons in social interaction and social recognition memory, suggesting that cholinergic dysfunction may explain social ability deficits associated with AD symptoms.
Symptom-based early-stage differentiation between SARS-CoV-2 versus other respiratory tract infections—Upper Silesia pilot study
Authors: Mika Justyna , Tobiasz Joanna , Zyla Joanna , Papiez Anna , Bach Małgorzata , Werner Aleksandra , Kozielski Michał , Kania Mateusz , Gruca Aleksandra , Piotrowski Damian , Sobala-Szczygieł Barbara , Włostowska Bożena , Foszner Paweł , Sikora Marek , Polanska Joanna , Jaroszewicz Jerzy
Published: June 2021

In the DECODE project, data were collected from 3,114 surveys filled by symptomatic patients RT-qPCR tested for SARS-CoV-2 in a single university centre in March-September 2020. The population demonstrated balanced sex and age with 759 SARS-CoV-2( +) patients. The most discriminative symptoms in SARS-CoV-2( +) patients at early infection stage were loss of taste/smell (OR = 3.33,p < 0.0001), body temperature above 38℃ (OR = 1.67,p < 0.0001), muscle aches (OR = 1.30,p = 0.0242), headache (OR = 1.27,p = 0.0405), cough (OR = 1.26,p = 0.0477). Dyspnea was more often reported among SARS-CoV-2(-) (OR = 0.55,p < 0.0001). Cough and dyspnea were 3.5 times more frequent among SARS-CoV-2(-) (OR = 0.28,p < 0.0001). Co-occurrence of cough, muscle aches, headache, loss of taste/smell (OR = 4.72,p = 0.0015) appeared significant, although co-occurrence of two symptoms only, cough and loss of smell or taste, means OR = 2.49 (p < 0.0001). Temperature > 38℃ with cough was most frequent in men (20%), while loss of taste/smell with cough in women (17%). For younger people, taste/smell impairment is sufficient to characterise infection, whereas in older patients co-occurrence of fever and cough is necessary. The presented study objectifies the single symptoms and interactions significance in COVID-19 diagnoses and demonstrates diverse symptomatology in patient groups.
Behavior and body size modulate the defense of toxin-containing sawfly larvae against ants
Authors: Boevé Jean-Luc
Published: June 2021

The sawfly larvae of most Argidae and Pergidae (Hymenoptera: Symphyta) species contain toxic peptides, and these along with other traits contribute to their defense. However, the effectiveness of their defense strategy, especially against ants, remains poorly quantified. Here, five Arge species, A. berberidis, A. nigripes, A. ochropus, A. pagana, A. pullata, plus three Pergidae species, Lophyrotoma analis, Lophyrotoma zonalis, Philomastix macleaii, were tested in laboratory bioassays on ant workers mainly of Myrmica rubra. The experiments focused on short-term predator–prey interactions, sawfly survival rate after long-term interactions, and feeding deterrence of the sawfly hemolymph. The larvae of Arge species were generally surrounded by few ants, which rarely bit them, whereas larvae of Pergidae, especially P. macleaii, had more ants around with more biting. A detailed behavioral analysis of Arge-ant interactions revealed that larval body size and abdomen raising behavior were two determinants of ant responses. Another determinant may be the emission of a volatile secretion by non-eversible ventro-abdominal glands. The crude hemolymph of all tested species, the five Arge species and L. zonalis, was a strong feeding deterrent and remained active at a ten-fold dilution. Furthermore, the study revealed that the taxon-specific behavior of ants, sting or spray, impacted the survival of A. pagana but not the large body-sized A. pullata. The overall results suggest that the ability of Arge and Pergidae larvae to defend against ants is influenced by the body size and behavior of the larvae, as well as by chemicals.
Identification of subtypes of anticancer peptides based on sequential features and physicochemical properties
Authors: Huang Kai-Yao , Tseng Yi-Jhan , Kao Hui-Ju , Chen Chia-Hung , Yang Hsiao-Hsiang , Weng Shun-Long
Published: June 2021

Anticancer peptides (ACPs) are a kind of bioactive peptides which could be used as a novel type of anticancer drug that has several advantages over chemistry-based drug, including high specificity, strong tumor penetration capacity, and low toxicity to normal cells. As the number of experimentally verified bioactive peptides has increased significantly, various of in silico approaches are imperative for investigating the characteristics of ACPs. However, the lack of methods for investigating the differences in physicochemical properties of ACPs. In this study, we compared the N- and C-terminal amino acid composition for each peptide, there are three major subtypes of ACPs that are defined based on the distribution of positively charged residues. For the first time, we were motivated to develop a two-step machine learning model for identification of the subtypes of ACPs, which classify the input data into the corresponding group before applying the classifier. Further, to improve the predictive power, the hybrid feature sets were considered for prediction. Evaluation by five-fold cross-validation showed that the two-step model trained with sequence-based features and physicochemical properties was most effective in discriminating between ACPs and non-ACPs. The two-step model trained with the hybrid features performed well, with a sensitivity of 86.75%, a specificity of 85.75%, an accuracy of 86.08%, and a Matthews Correlation Coefficient value of 0.703. Furthermore, the model also consistently provides the effective performance in independent testing set, with sensitivity of 77.6%, specificity of 94.74%, accuracy of 88.99% and the MCC value reached 0.75. Finally, the two-step model has been implemented as a web-based tool, namely iDACP, which is now freely available athttp://mer.hc.mmh.org.tw/iDACP/.
Identification of a novel interaction of FUS and syntaphilin may explain synaptic and mitochondrial abnormalities caused by ALS mutations
Authors: Salam Shaakir , Tacconelli Sara , Smith Bradley N. , Mitchell Jacqueline C. , Glennon Elizabeth , Nikolaou Nikolas , Houart Corinne , Vance Caroline
Published: June 2021

Aberrantly expressed fused in sarcoma (FUS) is a hallmark of FUS-related amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD). Wildtype FUS localises to synapses and interacts with mitochondrial proteins while mutations have been shown to cause to pathological changes affecting mitochondria, synapses and the neuromuscular junction (NMJ). This indicates a crucial physiological role for FUS in regulating synaptic and mitochondrial function that is currently poorly understood. In this paper we provide evidence that mislocalised cytoplasmic FUS causes mitochondrial and synaptic changes and that FUS plays a vital role in maintaining neuronal health in vitro and in vivo. Overexpressing mutant FUS altered synaptic numbers and neuronal complexity in both primary neurons and zebrafish models. The degree to which FUS was mislocalised led to differences in the synaptic changes which was mirrored by changes in mitochondrial numbers and transport. Furthermore, we showed that FUS co-localises with the mitochondrial tethering protein Syntaphilin (SNPH), and that mutations in FUS affect this relationship. Finally, we demonstrated mutant FUS led to changes in global protein translation. This localisation between FUS and SNPH could explain the synaptic and mitochondrial defects observed leading to global protein translation defects. Importantly, our results support the ‘gain-of-function’ hypothesis for disease pathogenesis in FUS-related ALS.
High-strength cellulose nanofiber/graphene oxide hybrid filament made by continuous processing and its humidity monitoring
Authors: Kim Hyun Chan , Panicker Pooja S. , Kim Debora , Adil Samia , Kim Jaehwan
Published: June 2021

Human-made natural-fiber-based filaments are attractive for natural fiber-reinforced polymer (NFRP) composites. However, the composites' moisture distribution is critical, and humidity monitoring in the NFRP composites is essential to secure stability and keep their life span. In this research, high strength and humidity sensing filament was developed by blending cellulose nanofiber (CNF) and graphene oxide (GO), wet-spinning, coagulating, and drying, which can overcome the heterogeneous mechanical properties between embedded-type humidity sensors and NFRP composites. The stabilized synthesis process of the CNF-GO hybrid filament demonstrated the maximum Young's modulus of 23.9 GPa and the maximum tensile strength of 439.4 MPa. Furthermore, the achieved properties were successfully transferred to a continuous fabrication process with an additional stretching process. Furthermore, its humidity sensing behavior is shown by resistivity changes in various temperature and humidity levels. Therefore, this hybrid filament has excellent potential for in-situ humidity monitoring by embedding in smart wearable devices, natural fiber-reinforced polymer composites, and environmental sensing devices.
Examining learning of atomic level ideas about precipitation reactions with a resources framework
Authors: Kelly Resa M. , Akaygun Sevil , Hansen Sarah J. R. , Villalta-Cerdas Adrian , Adam Jonathan
Published: June 2021

One particular challenge in chemistry learning is developing students’ atomic level understanding of chemical processes. It is necessary to help students learn how to critique atomic models rather than accept them as “truth.” In this study, we used a resources-based framework to examine how students made sense of macroscopic level information to account for what was happening at the atomic level. We interviewed 20 students enrolled in the first semester of general chemistry. Each student completed three exercises. The first exercise involved a card sorting task and the second exercise involved constructing an atomic model to learn how students made sense of the atomic level of a reaction involving the mixing of aqueous silver nitrate and aqueous sodium chloride to produce a precipitate. Next, students engaged in an exercise in which they were shown three conflicting atomic level animations of the same experiment and they were charged with selecting the animation that was most scientifically accurate. We analyzed the general patterns of characterization that emerged when students engaged in the card sorting and modeling exercise and the conflicting animation exercise using a resources framework. We contend that students apply and sometimes misapply knowledge resources to make sense of the atomic level. The process affects decisions that they make and stances that they develop about the accuracy of atomic level models.
Decorated networks of native proteins: nanomaterials with tunable mesoscopic domain size
Authors: Ríos de Anda Ioatzin , Coutable-Pennarun Angélique , Brasnett Christopher , Whitelam Stephen , Seddon Annela , Russo John , Anderson J. L. Ross , Royall C. Patrick
Published: June 2021

By controlling the specificity of salt–protein interactions, we designed a new protein self-assembly strategy, which yielded a novel binary network. Using fluorescent proteins, we obtained a backbone gel of eGFP, which was decorated in a controlled manner with mCherry.
Predicting differential ion mobility behaviour in silico using machine learning
Authors: Ieritano Christian , Campbell J. Larry , Hopkins W. Scott
Published: June 2021

Supervised machine learning is used to create a predictive model of differential ion mobility.
A fluorescent probe for STED microscopy to study NIP-specific B cells
Authors: Glowacki Selda Kabatas , Gomes de Castro Maria Angela , Yip Ka Man , Asadpour Ommolbanin , Münchhalfen Matthias , Engels Niklas , Opazo Felipe
Published: June 2021

Monovalent NIP probes for studying B cell antigen receptors in fluorescence-based techniques, including diffraction unlimited microscopy.
Facile preparation of a superamphiphilic nitrocellulose membrane enabling on-demand and energy-efficient separation of oil/water mixtures and emulsions by prewetting
Authors: Zhang Rong , Guo Zhiguang
Published: June 2021

We proposed a strategy to combine hydrophilic dopamine with a nitrocellulose membrane (NCM) with a microporous structure by a simple immersion method. The as-prepared surface can be realized to separate oil/water mixtures and surfactant-stabilized oil/water emulsions.
Recent advances in near infrared light responsive multi-functional nanostructures for phototheranostic applications
Authors: Thangudu Suresh , Kaur Navpreet , Korupalli Chiranjeevi , Sharma Vinay , Kalluru Poliraju , Vankayala Raviraj
Published: June 2021

NIR light-based theranostics become very crucial in the field of cancer nanomedicine. This review summarizes the recent advances of NIR light activatable multi-functional materials for cancer phototheranostics.
Facile treatment tuning the morphology of Pb with state-of-the-art selectivity in CO2 electroreduction to formate
Authors: Yu Weiting , Wen Lingsha , Gao Jie , Chen Sizhuo , He Zhiqiao , Wang Da , Shen Yi , Song Shuang
Published: June 2021

The highest selectivity of the CO2RR toward formate reported to date has been achieved on well-defined octahedral Pb prepared via a facile treatment on commercial Pb.
Multi-component synthesis of dihydro-1,3-azaborinine derived oxindole isosteres
Authors: Li Jun , Daniliuc Constantin G. , Matern Jonas , Fernández Gustavo , Kehr Gerald , Erker Gerhard
Published: June 2021

A five-component one-pot sequence between a bulky borane with arylalkyne and ester group containing isonitrile reagents was developed to give BN-oxindole derivatives. Their solvent dependent photophysical properties were examined.
Pillar[5]arene-based supramolecular photosensitizer for enhanced hypoxic-tumor therapeutic effectiveness
Authors: Chao Shuang , Shen Ziyan , Pei Yuxin , Lv Yinghua , Chen Xiaolin , Ren Jiaming , Yang Ke , Pei Zhichao
Published: June 2021

A galactose-targeting supramolecular photosensitizer system DOX@GP5⊃NBSPD was constructed based on a host–guest inclusion complex, which could achieve the enhanced hypoxic-tumor therapeutic effectiveness by chemo-photodynamic combination.
Electrocatalytic ethylbenzene valorization using a polyoxometalate@covalent triazine framework with water as the oxygen source
Authors: Li Zhen , Liu Chengpeng , Geng Weijie , Dong Jing , Chi Yingnan , Hu Changwen
Published: June 2021

H5PMo10V2O40@CTF as a noble metal free electrocatalyst can promote the anodic oxidation of ethylbenzene to value-added products using water as the oxygen source without adding any additives and the catalytic role of H5PMo10V2O40 was explored.
Enhanced out-of-plane electromechanical response of Janus ZrSeO
Authors: Pham Thi Hue , Ullah Hamid , Shafique Aamir , Kim Hye Jung , Shin Young-Han
Published: June 2021

We investigate the compelling piezoelectric properties of Janus ZrSeO in monolayer and bulk structures using density functional theory calculations with a van der Waals correction.
Altering the influence of ceria oxygen vacancies in Ni/CexSiyO2for photothermal CO2methanation
Authors: Jantarang Salina , Lovell Emma C. , Tan Tze Hao , Xie Bingqiao , Scott Jason , Amal Rose
Published: June 2021

While the benefit of CeO2surface oxygen vacancies for CO2methanation is well established, their role under photothermal conditions has not been probed in depth.
The origin of supramolecular chirality in 1-ferrocenyl amino acids
Authors: Zong Zhaohui , Zhang Heng , Hao Aiyou , Xing Pengyao
Published: June 2021

Intramolecular chirality transfer behaviors in ferrocene-conjugated amino acids depend on the substituent groups, which influence the modality of multiple intramolecular interactions, as well as the molecular geometry.
Molecular interactions of the M and E integral membrane proteins of SARS-CoV-2
Authors: Monje-Galvan Viviana , Voth Gregory A.
Published: June 2021

Microsecond molecular dynamics simulations provide valuable insights into the aggregation patterns and membrane response around the M and E proteins of SARS-CoV-2. This work highlights the complex lipid–protein interactions during early viral assembly.
The viability of complex coacervate encapsulated probiotics during simulated sequential gastrointestinal digestion affected by wall materials and drying methods
Authors: Qi Xiaoxi , Lan Yang , Ohm Jae-Bom , Chen Bingcan , Rao Jiajia
Published: June 2021

We investigated how protein type and drying process influence the physicochemical properties of the complex coacervates and the protective effects on probiotics.
The influence of textile finishing agents on the biodegradability of shed fibres
Authors: Lykaki Marianna , Zhang Ya-Qi , Markiewicz Marta , Brandt Stefan , Kolbe Sabrina , Schrick Jörg , Rabe Maike , Stolte Stefan
Published: June 2021

Biodegradation of shed fibres originated from textile washing.
Energy-, time-, and labor-saving synthesis of α-ketiminophosphonates: machine-learning-assisted simultaneous multiparameter screening for electrochemical oxidation
Authors: Kondo Masaru , Sugizaki Akimasa , Khalid Md. Imrul , Wathsala H. D. P. , Ishikawa Kazunori , Hara Satoshi , Takaai Takayuki , Washio Takashi , Takizawa Shinobu , Sasai Hiroaki
Published: June 2021

A highly efficient synthesis of α-ketiminophosphonates has been established for the electrochemical oxidation of α-amino phosphonates with the utilization of machine-learning-assisted simultaneous multiparameter screening.
Alkali-metal-ion-doping strategy to improve the photovoltaic properties of Ag2BiI5 solar cells
Authors: Wang Yuxiang , Liu Yue , Shi Xinan , Huang Lijian , Tong Junye , Wang Gang , Pan Daocheng
Published: June 2021

An efficient alkali-metal-ion-doping strategy is proposed to improve the photovoltaic properties of Ag2BiI5 solar cells.
Marine paralytic shellfish toxins: chemical properties, mode of action, newer analogues, and structure–toxicity relationship
Authors: Leal Joana F. , Cristiano Maria L. S.
Published: June 2021

This review highlights the recent findings about biotransformation in different organisms (dinoflagellates, bivalves, humans) and presents a critical revision on the latest analogues, M-toxins. A “toxicological traffic light” is also proposed.
A review of the microwave-assisted synthesis of carbon nanomaterials, metal oxides/hydroxides and their composites for energy storage applications
Authors: Devi Nitika , Sahoo Sumanta , Kumar Rajesh , Singh Rajesh Kumar
Published: June 2021

Microwave-assisted synthesis of carbon nanomaterials, metal oxides/hydroxides and their composites for energy storage applications.
Shape control in seed-mediated synthesis of non-elongated Cu nanoparticles and their optical properties
Authors: Medvedeva Xenia V. , Li Feng , Maokhamphiou Alex , Medvedev Jury J. , Ahmed Aftab , Klinkova Anna
Published: June 2021

Tunable synthetic methodology for several Cu nanoparticle shapes is presented along with detailed analysis of their plasmonic and non-plasmonic optical response.
Effective enhancement of capacitive performance by the facile exfoliation of bulk metal–organic frameworks into 2D-functionalized nanosheets
Authors: Zheng Tianxiang , Kang Xiaomin , Liu Zhiliang
Published: June 2021

Remarkable improvement in the specific capacitance (921.05%) by the facile exfoliation method of bulk metal–organic frameworks into 2D functionalized nanosheets.
Influence of carbon nano-dots in water on sonoluminescence
Authors: Song Dan , Xu Wen , Luo Man , Zhang Mingjun , Wen Hua , Cheng Xingjia , Luo Xiaobing , Wang Zhibiao
Published: June 2021

The modulation to ˙OH can be induced by carbon nano-dots in water which turns the blue emission of sonoluminescence (SL) in pure water into orange!
Syntheses of 4-allyl-/4-allenyl-4-(arylthio)-1,4-dihydroisoquinolin-3-ones via the photochemical Doyle–Kirmse reaction
Authors: Xie Jianwei , Suleman Muhammad , Wang Zaibin , Mao Xinfei , Mao Beibei , Fan Jiale , Lu Ping , Wang Yanguang
Published: June 2021

4-Allyl- and 4-allenyl-4-(arylthio)-1,4-dihydroisoquinolin-3-ones were synthesized through the photochemical Doyle–Kirmse reaction of 4-diazo-1,4-dihydroisoquinolin-3-ones with allyl and propargyl sulfides, respectively.
Facile synthesis of GalNAc monomers and block polycations for hepatocyte gene delivery
Authors: Bockman Matthew R. , Dalal Rishad J. , Kumar Ramya , Reineke Theresa M.
Published: June 2021

Here, we present a facile synthetic route for a monomer displaying N-acetyl-d-galactosamine and subsequent copolymerization in a block format with cationic subunits readily accessing liver-targeted polymeric pDNA delivery vehicles with low toxicity.
Novel imino- and aryl-sulfonate based photoacid generators for the cationic ring-opening polymerization of ε-caprolactone
Authors: Lopez de Pariza Xabier , Cordero Jara Erick , Zivic Nicolas , Ruipérez Fernando , Long Timothy E. , Sardon Haritz
Published: June 2021

The use of photoacid generators for the ring opening polymerization of cyclic esters is investigated.
Metal- and solvent-free synthesis of aniline- and phenol-based triarylmethanesviaBrönsted acidic ionic liquid catalyzed Friedel-Crafts reaction
Authors: Ponpao Nipaphorn , Senapak Warapong , Saeeng Rungnapha , Jaratjaroonphong Jaray , Sirion Uthaiwan
Published: June 2021

Brönsted acidic ionic liquid catalyzed the synthesis of aniline- and phenol-based triarylmethanesviaFriedel-Crafts reaction under metal- and solvent-free conditions.
Characterization and application of natural and recombinant butelase-1 to improve industrial enzymes by end-to-end circularization
Authors: Hemu Xinya , Zhang Xiaohong , Nguyen Giang K. T. , To Janet , Serra Aida , Loo Shining , Sze Siu Kwan , Liu Chuan-Fa , Tam James P.
Published: June 2021

Butelase-1, an asparaginyl endopeptidase or legumain, is the prototypical and fastest known Asn/Asp-specific peptide ligase that could be used for improving other enzymes by catalyzing simple and efficient end-to-end circularization.
Flower-like MoS2 microspheres compounded with irregular CdS pyramid heterojunctions: highly efficient and stable photocatalysts for hydrogen production from water
Authors: He Kai , Guo Liejin
Published: June 2021

Schematic diagram of the photogenerated carrier migration between CdS and MoS2.
Preparation of CuHY catalystviasolid-state ion exchange method and its catalytic performance in isobutane/2-butene alkylation
Authors: Sun Xinyan , Zhang Xiang , Zheng Tao , Liu Haiyan , Zhang Rui , Meng Xianghai , Xu Chunming , Liu Zhichang
Published: June 2021

CuHY prepared by solid-state ion exchange of HY zeolite with CuCl was used as a catalyst in isobutane/2-butene alkylation. The selectivity of C8 and trimethylpentanes over CuHY in alkylate are improved compared with those of HY.
Expansion of orderly stacked metakaolinite layers and order destruction using a kaolinite-tetraphenylphosphonium chloride intercalation compound
Authors: Machida Shingo , Katsumata Ken-ichi , Yasumori Atsuo
Published: June 2021

Metakaolinite layers were expanded via the heat treatment of a kaolinite-tetraphenylphosphonium chloride intercalation compound and the obtained metakaolinite stacking order was destroyed upon manual grinding.
Efficient kinetic resolution in the asymmetric transfer hydrogenation of 3-aryl-indanones: applications to a short synthesis of (+)-indatraline and a formal synthesis of (R)-tolterodine
Authors: Park Songsoon , Lee Hyeon-Kyu
Published: June 2021

Efficient kinetic resolution occurs in ATH of racemic 3-arylindanones using (R,R)-or (S,S)-Ts-DENEB catalyst and HCO2H/Et3N mixture providing near equal yields of cis-3-arylindanols and unreacted 3-arylindanones with excellent stereoselectivities.
Highly effective production of levulinic acid and γ-valerolactone through self-circulation of solvent in a continuous process
Authors: Wang Hongxing , Ding Guoqiang , Liu Yubo , Zhang Junbo , Li Yongwang , Zhu Yulei
Published: June 2021

Highly effective production of γ-valerolactone through self-circulation of solvent in a continuous process.
Easily accessible non-aromatic heterocycles with handles: 4-bromo-2,3-dihydrofurans from 1,2-dibromohomoallylic alcohols
Authors: An Jason , Intano Jose , Richard Alissa , Kim Taehyun , Gascón José A. , Howell Amy R.
Published: June 2021

The first general preparation of 4-bromo-2,3-dihydrofurans is reported.
Cellular delivery of dinucleotides by conjugation with small molecules: targeting translation initiation for anticancer applications
Authors: Kleczewska Natalia , Sikorski Pawel J. , Warminska Zofia , Markiewicz Lukasz , Kasprzyk Renata , Baran Natalia , Kwapiszewska Karina , Karpinska Aneta , Michalski Jaroslaw , Holyst Robert , Kowalska Joanna , Jemielity Jacek
Published: June 2021

Ligand assisted cellular delivery of negatively charged dinucleotides, which are potential antagonists of the protooncogenic protein eIF4E.
Destructive quantum interference in heterocyclic alkanes: the search for ultra-short molecular insulators
Authors: Zhang Boyuan , Garner Marc H. , Li Liang , Campos Luis M. , Solomon Gemma C. , Venkataraman Latha
Published: June 2021

We present a combined experimental and theoretical study of small saturated heterocyclic alkanes and show that they perform well as insulators with an electronic transmission that is suppressed due to destructive interference.
An intrinsic synthesis parameter governing the crystallization of silico(zinco)aluminophosphate molecular sieves
Authors: Park Sung Hwan , Kemp Kingsley Christian , Hong Jingeon , Min Jung Gi , Hong Suk Bong
Published: June 2021

The existence of an essential parameter (ca.3.3 ≤ MOH/P2O5≤ 5.3, where M is alkali metal ions used as structure-directing agents) determining phase selectivity and microporosity in the synthesis of zeotypes with charged frameworks is demonstrated.
Combining flavin photocatalysis with parallel synthesis: a general platform to optimize peptides with non-proteinogenic amino acids
Authors: Immel Jacob R. , Chilamari Maheshwerreddy , Bloom Steven
Published: June 2021

We report a non-classical approach to interrogate peptides with non-proteinogenic amino acids via flavin photocatalysis. We establish a new platform to make, purify, quantify, and biochemically test up to 96 peptide variants in batch.
Expanding organofluorine chemical space: the design of chiral fluorinated isosteres enabled by I(i)/I(iii) catalysis
Authors: Meyer Stephanie , Häfliger Joel , Gilmour Ryan
Published: June 2021

Short aliphatic groups are prevalent in bioactive small molecules and play an essential role in regulating physicochemistry and molecular recognition phenomena.
Enantioselective total synthesis of parnafungin A1 and 10a-epi-hirtusneanine
Authors: Sun Jiawei , Gu Wei , Yang He , Tang Wenjun
Published: June 2021

The first, enantioselective total synthesis of the heterodimeric biaryl antifungal natural product parnafungin A1 as well as 10a-epi-hirtusneanine is accomplished, using a cross-coupling strategy to construct their sterically hindered biaryl cores.
Efficacy of simple continuum models for diverse granular intrusions
Authors: Agarwal Shashank , Karsai Andras , Goldman Daniel I. , Kamrin Ken
Published: June 2021

The efficacy of continuum modeling in a variety of granular intrusion scenarios is demonstrated. Besides providing new insights into the physics of these cases, the approach unifies many of them under a family of basic constitutive relations.
Rheology of bacterial superfluids in viscous environments
Authors: Chui Jane Y. Y. , Douarche Carine , Auradou Harold , Juanes Ruben
Published: June 2021

Dense suspensions of pusher-type bacteria give rise to 'superfluids' in which the effective viscosity of the suspension is drastically reduced through collective motion, and in this study we investigate how a viscous environment affects this behavior.
Biomimetic photocatalysts for the conversion of aqueous- and gas-phase nitrogen species to molecular nitrogen via denitrification and ammonia oxidation
Authors: Park Cheolwoo , Kwak Hyelim , Moon Gun-hee , Kim Wooyul
Published: June 2021

This review summarizes the recent progress in the photocatalytic conversion of aqueous- and gas-phase nitrogen species to molecular nitrogen and highlights the factors affecting the conversion efficiency and selectivity for nitrogen.
Solar-assisted co-electrolysis of glycerol and water for concurrent production of formic acid and hydrogen
Authors: Ke Zunjian , Williams Nicholas , Yan Xingxu , Younan Sabrina , He Dong , Song Xianyin , Pan Xiaoqing , Xiao Xiangheng , Gu Jing
Published: June 2021

A N-CoOx-catalyzed glycerol oxidation with a low energy supply (1.31 V) and high conversion of glycerol to formic acid (96.2% FE) was employed to repace OER and couple with solar-driven HER for co-production of formic acid and hydrogen.
Mechanistic study on nitrogen-doped graphitic carbon-reinforced chromium nitride as a durable electrocatalyst for oxygen reduction
Authors: Sarkar Bidushi , Parui Arko , Singh Abhishek Kumar , Nanda Karuna Kar
Published: June 2021

An ammonia-free strategy to synthesize CrN supported on N-doped carbon (CrN@NG) as an oxygen reduction (ORR) catalyst over a wide pH range is demonstrated. A synergy between the NG support and anti-corrosive CrN boosts the catalyst activity and durability.
Air-stable MXene/GaAs heterojunction solar cells with a high initial efficiency of 9.69%
Authors: Zhang Zhijie , Lin Jing , Sun Peiye , Zeng Qinghao , Deng Xi , Mo Youtian , Chen Jiaying , Zheng Yulin , Wang Wenliang , Li Guoqiang
Published: June 2021

A novel MXene/GaAs heterojunction solar cell with a stabilized PCE of ∼12.5% has been achieved via a facile one-step method of drop-casting for the first time.
Single crystal MnOOH nanotubes for selective oxidative coupling of anilines to aromatic azo compounds
Authors: Zou Yong , Zhang Mingkai , Cao Fangxian , Li Jiayuan , Zhang Sai , Qu Yongquan
Published: June 2021

Catalytic synthesis of aromatic azo compounds by oxidative coupling of anilines using molecular oxygen represents a facile, green and valuable process; however, such an economical process suffers from poor catalytic activity and selectivity.
Deciphering the role of nanostructured materials in the point-of-care diagnostics for COVID-19: a comprehensive review
Authors: Krishnan Saravanan , Dusane Apurva , Morajkar Rasmi , Venkat Akila , Vernekar Amit A.
Published: June 2021

This review article discusses the role of nanomaterials and their future perspectives in the point-of-care diagnostics of COVID-19.
High-performance SERS substrate based on perovskite quantum dot–graphene/nano-Au composites for ultrasensitive detection of rhodamine 6G and p-nitrophenol
Authors: Wang Jiangcai , Qiu Cuicui , Pang Hua , Wu Junyu , Sun Mengtao , Liu Dameng
Published: June 2021

The designed PQD–G/Au nanocomposite shows high performance for ultrasensitive detection of R6G and PNP, attributed to the synergistic effect of the EM enhancement of Au nanostructures and CM enhancement of PQD–G heterostructures.
Measuring the impact of spin-triplet exciton orientation on photocurrent in an organic transistor
Authors: Bittle Emily G. , Engmann Sebastian , Thorley Karl , Anthony John
Published: June 2021

Angle dependent magneto-photocurrent in organic single crystal transistors reveals the anisotropy of triplets, verified by a spin-Hamiltonian model with zero-field splitting, providing a basis for metrics of singlet fission–triplet fusion devices.
A bionic paired hydrogen-bond strategy for extending organic π-conjugation to regulate emission
Authors: Ye Guigui , Wang Yigang , Hong Liming , Yu Fuqing , Xia Guomin , Wang Hongming
Published: June 2021

We demonstrate a bionic hydrogen-bond strategy to extend the π-conjugation of organic fluorophores, from the perspective of spectral and theoretical analyses.
An organic synaptic transistor with integration of memory and neuromorphic computing
Authors: Chen Shaomin , Li Enlong , Yu Rengjian , Yang Huihuang , Yan Yujie , Hu Yuanyuan , Chen Huipeng , Guo Tailiang
Published: June 2021

The transistor exhibits a controllable adjustment of synaptic behavior while maintaining each memory state, which describes the ability of integration memory with neuromorphic computing.
Intelligent protection coordination restoration strategy for active distribution networks
Authors: Hojjaty Mahmoud , Fani Bahador , Sadeghkhani Iman
Published: June 2021

Despite various advantages of integrating distributed generation (DG) units into distribution networks such as power loss reduction and voltage profile improvement, they may disrupt the performance of the conventional protection system due to bidirectional power flow and change of short‐circuit power. With the development of multi‐agent systems (MASs), intelligent protection schemes have been introduced that operate on the basis of data processing by a central controller. However, the possibility of communication failure and cyber attacks reduce reliability of these protection systems. To address this problem, this paper proposes an intelligent protection scheme that relies on peer‐to‐peer communication between agents in the first layer of the MAS. In the case of communication failure, the agents react to the fault condition by using the available data for similar conditions. The main advantages of the proposed scheme are reduction of number of employed agents by using only relay agents and no need for communicating with higher layers of MAS. Implementation of the proposed scheme in the ETAP simulation model of a 14 bus active distribution network shows that data exchange between relay agents properly modifies the operating time of the relays, resulting in protection coordination between main and backup protections.
Internal calibration of Gaia BP/RP low-resolution spectra
Authors: Carrasco J. M. , Weiler M. , Jordi C. , Fabricius C. , De Angeli F. , Evans D. W. , van Leeuwen F. , Riello M. , Montegriffo P.
Published: June 2021

Context. The full third Gaia data release will provide, for the first time, the calibrated spectra obtained with the blue and red Gaia slitless spectrophotometers (BP and RP, respectively). Gaia is a very complex mission and cannot be considered as a single instrument, but rather as many instruments. The two lines of sight with wide fields of view introduce strong variations of the observations across the large focal plane with more than one hundred different detectors. The main challenge when facing Gaia spectral calibration is that no lamp spectra or flat fields are available during the mission. Also, the significant size of the line spread function with respect to the dispersion of the prisms produces alien photons contaminating neighbouring positions of the spectra. This makes the calibration special and different from standard approaches.

Aims. This work gives a detailed description of the internal calibration model for the spectrophotometric data used to obtain the content of the Gaia catalogue. The main purpose of the internal calibration is to bring all the epoch spectra onto a common flux and pixel (pseudo-wavelength) scale, taking into account variations over the focal plane and with time, producing a mean spectrum from all the observations of the same source.

Methods. In order to describe all observations on a common mean flux and pseudo-wavelength scale, we constructed a suitable representation of the internally calibrated mean spectra via basis functions, and we described the transformation between non-calibrated epoch spectra and calibrated mean spectra via a discrete convolution, parametrising the convolution kernel to recover the relevant coefficients.

Results. The model proposed here for the internal calibration of the Gaia spectrophotometric observations is able to combine all observations into a mean instrument to allow the comparison of different sources and observations obtained with different instrumental conditions along the mission and the generation of mean spectra from a number of observations of the same source. We derived a calibration model that can handle the self-calibrating nature of the problem. The output of this model provides the internal mean spectra, not as a sampled function (flux and wavelength), but as a linear combination of basis functions, although sampled spectra can easily be derived from them.
Simulation of the influence of dynamic loading on the stress-strain state of the natural and geoengineering environment
Authors: Remez Natalya , Dychko Alina , Bronytskyi Vadym , Hrebeniuk Tetiana , Bambirra Pereira Rafael , Ekel Petr
Published: June 2021

The paper provides numerical simulation of the influence of dynamic loading on the stress-strain state of the natural and geoengineering technogenic environment taking into account the soil basis for forecasting its use as the basis of the structure. Paper demonstrates the impact of static and dynamic loading on the subsidence of the landfill. To take into account the liquid phase of the waste and the viscoplastic medium, Darcy's law is used as an equation of balance of forces. The body of the landfill is modeled by weak soil taking into account the creep, using the Soft Soil Creep model. The covering and underlying soil layers are described by the Coulomb – Mohr model. An effective method for calculating the sedimentation of natural and geoengineering environment on the example of a solid waste landfill, based on numerical modeling of the stress-strain state of the landfill and underlying soil using finite elements is developed. It is demonstrated that the largest subsidence is experienced by the landfill with sand, as the base soil, but in percentage terms the amount of subsidence with the maximum load relative to the initial subsidence without loading is the largest in clay (33.7%). The obtained results must be taken into account when using landfills as a basis for buildings, structures, routes, recreational areas, etc.
The response strategy of social work with displaced families and the receiving community (within the context of sustainable development)
Authors: Trubavina Iryna , Karaman Olena , Kamenova Dimitrina , Stepanenko Viktoriia , Yurkiv Yaroslava
Published: June 2021

The article deals with the issues of overcoming poverty, inequality, nutrition improvement, ensuring a healthy way of life, raising education quality, enhancing well-being, and building up a peaceful and open society for internally displaced persons (IDP) and the receiving community by means of the social response strategy. The goal of the research: theoretic substantiation of the response strategy in social work with IDP and the community in the context of the perspective of ensuring their sustainable development. The presented response strategy is for the first time theoretically substantiated and adapted to the Ukrainian realities in the conflict zone and takes into account the peculiarities of the DP and social work in the receiving borderline community and includes standard actions to react to extraordinary situations, activity directions – psychology-and-pedagogic, socio-medical, humanitarian, information-and-cultural assistance. The strategy is based on the principles of integration, multi-sidedness, multidisciplinary connection, resource-orientation, green-aware social work, the advantages theory, partnership, assistance for self-assistance, family-centrism, innovation, synergy, etc.; it takes into account the perspective ensuring of sustainable future for both the displaced families and the receiving community in general. The methods of the research: theoretical analysis, synthesis, systemizing, generalizing, comparison, documentation study, estimation of needs, and mathematic statistics methods. The obtained results of applying the mentioned theory under conditions of the military conflict in the Luhansk oblast (area) of Ukraine confirm its efficiency in qualitative and numerical terms and are supported by mathematic statistics methods.