bluuebunny/crossref_metadata_2025 huggingface dataset:
MRBSChain a novel scalable medical records binance smart chain framework enabling a paradigm shift in medical records management
Authors: Monga Suhasini , Singh Dilbag
Published: October 2022

Medical records management had always been a challenging in healthcare sector. Traditionally, medical records are handled either manually or electronically that are under the stewardship of hospitals/healthcare institutions. A patient centric approach is the new paradigm where patient is an inherent part of the healthcare ecosystem controlling the access and sharing of his/her personal medical care information. Medical care information requires robust security and privacy. Also there are other issues like confidentiality, interoperability, scalability, cost efficiency and timeliness that need to be addressed. To achieve these objectives, this paper proposes a novel-scalable patient centric yet privacy preserving framework for efficient and secure electronic medical records management. In addition, proposed system generates a unified trusted record and authentication role mapping for enforcing secure access control for medical records using complex encryption algorithms. This paper identifies 13 key performance factors for performance comparison of proposed framework with traditional models. Ethereum and Binance Smart Chain acted as a benchmark platform for performance evaluation of MRBSChain on the basis of three metrics (transaction cost, average block time and deployment cost).At last, a comparative analysis of MRBSChain with other state of art blockchain systems on the basis of execution time is presented in the paper.
Urine stabilization and normalization strategies favor unbiased analysis of urinary EV content
Authors: Vago Riccardo , Radano Giorgia , Zocco Davide , Zarovni Natasa
Published: October 2022

Urine features an ideal source of non-invasive diagnostic markers. Some intrinsic and methodological issues still pose barriers to its full potential as liquid biopsy substrate. Unlike blood, urine concentration varies with nutrition, hydration and environmental factors. Urine is enriched with EVs from urinary-genital tract, while its conservation, purification and normalization can introduce bias in analysis of EV subsets in inter-and intra-individual comparisons. The present study evaluated the methods that decrease such biases such as appropriate and feasible urine storage, optimal single-step EV purification method for recovery of proteins and RNAs from small urine volumes and a normalization method for quantitative analysis of urine EV RNAs. Ultracentrifugation, chemical precipitation and immuno-affinity were used to isolate EVs from healthy donors’ urine that was stored frozen or at room temperature for up to 6 months. Multiple urine biochemical and EV parameters, including particle count and protein content, were compared across urine samples. To this purpose nanoparticle tracking analysis (NTA) and protein assessment by BCA, ELISA and WB assays were performed. These measurements were correlated with relative abundances of selected EV mRNAs and miRNAs assessed by RT-PCR and ranked for the ability to reflect and correct for EV content variations in longitudinal urine samples. All purification methods enabled recovery and downstream analysis of EVs from as few as 1 ml of urine. Our findings highlight long term stability of EV RNAs upon urine storage at RT as well as excellent correlation of EV content in urine with some routinely measured biochemical features, such as total urine protein and albumin, but not creatinine most conventionally used for urine normalization. Comparative evaluation of mRNA and miRNAs in EV isolates revealed specific RNAs, in particular RNY4 and small miRNA panel, levels of which well reflected the inter-sample EV variation and therefore useful as possible post-analytical normalizers of EV RNA content. We describe some realistic urine processing and normalization solutions for unbiased readout of EV biomarker studies and routine clinical sampling and diagnostics providing the input for design of larger validation studies employing urine EVs as biomarkers for particular conditions and diseases.
Resting-state heart rate variability (HRV) mediates the association between perceived chronic stress and ambiguity avoidance
Authors: Jiryis Talita , Magal Noa , Fructher Eyal , Hertz Uri , Admon Roee
Published: October 2022

Chronic stress is associated with profound behavioral and physiological alterations, including intolerance to uncertainty and reduced resting-state heart-rate-variability (HRV). Critically, uncertainty may arise in situations with known probabilities (risk) or unknown probabilities (ambiguity). Whether associations between chronic stress and decision-making under uncertainty are dependent on the specific type of uncertain decisions, and whether physiological alterations play a role in these putative associations is not yet clear. Here, ninety-two healthy adults that exhibit various levels of perceived chronic stress underwent resting-state HRV recording before completing a behavioral task that involves decision-making under either risk or ambiguity. Computational modelling quantified participants’ behavioral attitudes of approach and avoidance separately for risk and ambiguity. Results indicate, as expected, that perceived chronic stress is positively associated with intolerance to uncertainty and negatively associated with resting-state HRV. Contrary to expectations, behavioral attitudes towards risk and ambiguity were not directly associated with perceived chronic stress, yet HRV fully mediated the association between chronic stress and ambiguity avoidance. Taken together and given the direction of the associations, elevated HRV despite chronic stress may foster adaptive behavior in the form of avoiding ambiguous situations, and hence contribute to reduced exposure to uncertainty and to lower levels of allostatic load.
Bullet impacts in building stone excavate approximately conical craters, with dimensions that are controlled by target material
Authors: Campbell Oliver , Blenkinsop Tom , Gilbert Oscar , Mol Lisa
Published: October 2022

Bullet impacts are a ubiquitous form of damage to the built environment resulting from armed conflicts. Bullet impacts into stone buildings result in surficial cratering, fracturing, and changes to material properties, such as permeability and surface hardness. Controlled experiments into two different sedimentary stones were conducted to characterise surface damage and to investigate the relationship between the impact energy (a function of engagement distance) and crater volumes. Simplified geometries of crater volume using only depth and diameter measurements showed that the volume of a simple cone provides the best approximation (within 5%) to crater volume measured from photogrammetry models. This result suggests a quick and efficient method of estimating crater volumes during field assessments of damage. Impact energy has little consistent effect on crater volume over the engagement distances studied (100–400 m), but different target materials result in an order of magnitude variation in measured crater volumes. Bullet impacts in the experiments are similar in appearance to damage caused by hypervelocity experiments, but crater excavation is driven by momentum transfer to the target rather than a hemispherical shock wave. Therefore in contrast to predictions of impact scaling relationships for hypervelocity experiments, target material plays the dominant role in controlling damage, not projectile energy.
Genetic introgression between different groups reveals the differential process of Asian cultivated rice
Authors: Gong Hao , Han Bin
Published: October 2022

The Asian cultivated rice consists of two major subspecies: indica and japonica. There are already many reports about the existence of genetic introgression between the two subspecies. They propose some possible introgression-related genes from the comparison of population parameters. This study uses the genome-wide variation data of Asia cultivated rice to investigate their genetic introgression on the whole genome level. We detect a total of 13 significantly high introgression loci between the tropical japonica and indica populations. Two different methods are used to identify the genetic introgression regions. For most of the detected introgression regions, they generally get consistent results. Some previously known introgression genes are detected in the identified introgression loci, such as heat resistance gene TT1 and GLW7. The biological functions for these genetic introgression regions are annotated by the published QTL mapping results. We find that genetic introgression plays a vital role in the determination of both the phenotype and the domestication process of different groups. Our study also provides useful information and resources for the study of rice gene function and the domestication process.
Leaf tissue metabolomics fingerprinting of Citronella gongonha Mart. by 1H HR-MAS NMR
Authors: Ali Sher , Badshah Gul , Ali Umar , Siddique Afridi Muhammad , Shamim Anwar , Khan Ajmir , Luiz Felipe Soares Frederico , Rocha Alencar Menezes Leociley , Theodoro Rezende Vanessa , Barison Andersson , Fernandes de Oliveira Carlos Augusto , Gustavo Tonin Fernando
Published: October 2022

This research characterizes key metabolites in the leaf from Citronella gongonha Martius (Mart.) Howard (Cardiopteridaceae). All metabolites were assessed in intact leaf tissue by proton (1H) high-resolution magic angle spinning (HR-MAS) nuclear magnetic resonance (NMR) spectroscopy integrated with the principal component analysis (PCA) to depict molecular association with the seasonal change. The major ‘known unknown’ metabolites detected in 1H HR-MAS NMR were derivatives of flavonoid, polyphenolic and monoterpenoid compounds such as kaempferol-3-O-dihexoside, caffeoyl glucoside (2), 3-O-caffeoylquinic acid (3), 5-O-caffeoylquinic acid (4), kingiside (5), 8-epi-kingisidic acid (6), (7α)-7-O-methylmorroniside (7), (7β)-7-O-methylmorroniside (8) and alpigenoside (9) together with the universally occurring sucrose (10), α-glucoses (11, 12), alanine (13), and fatty (linolenic) acid (14). Several of the major metabolites (1, 2–9) were additionally confirmed by liquid chromatography tandem mass spectrometry (LC–MS/MS). In regard with the PCA results, metabolites 1, 2–9 and 14 were influenced by seasonal variation and/or from further (a) biotic environmental conditions. The findings in this work indicate that C. gongonha Mart. is an effective medicinal plant by preserving particularly compounds 2, 3–9 in abundant amounts. Because of close susceptibility with seasonal shift and ecological trends, further longitudinal studies are needed to realize the physiology and mechanism involved in the production of these and new metabolites in this plant under controlled conditions. Also, future studies are recommended to classify different epimers, especially of the phenolics and monoterpenoids in the given plant.
Adsorption characteristics and mechanisms of Cd2+ from aqueous solution by biochar derived from corn stover
Authors: Chen Fang , Sun Yaosheng , Liang Chao , Yang Tianyu , Mi Shican , Dai Yehong , Yu Molin , Yao Qiang
Published: October 2022

Corn stover could be pyrolysed to prepare biochar for removing pollutants in water and realizing the resource utilization of biomass. The aims of the present study were to investigate the optimal preparation and adsorption conditions of biochar and to reveal the adsorption characteristics and mechanisms of Cd2+ in water by biochar. For this purpose, with Cd2+ as the target pollutant, the pyrolysis conditions involved in the pyrolysis temperature, retention time, and heating rate were evaluated and optimized. Additionally, the characteristics, mechanisms and optimal adsorption conditions of Cd2+ by biochar were determined. A series of characterization techniques was employed, including scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and specific surface area analysis (SBET). The optimum pyrolysis parameters were a pyrolysis temperature of 700 °C, a retention time of 2.5 h, and a heating rate of 5 °C/min. Acid/base modification did not improve the adsorption capacity of biochar. The Langmuir and the Elovich model were the most suitable isotherm and kinetic models for equilibrium data, respectively. The maximum adsorption capacity fitted by Langmuir model was 13.4 mg/g. Furthermore, mineral precipitation and π electron interactions were shown to be the main adsorption mechanisms of Cd2+. The optimum adsorption conditions for Cd2+ in water were a CaCl2 electrolyte solution of 0.01 mol/L, a pH level of 6.7, and a biochar dosage of 0.4 g. Our results indicated that corn stover biochar was an appropriate approach for improving the status of water with Cd2+ contamination in the short term and for promoting a new perspective for the rational utilization of corn stover and the low-cost pollution control of heavy metals in water.
Comparison of TGSE-BLADE DWI, RESOLVE DWI, and SS-EPI DWI in healthy volunteers and patients after cerebral aneurysm clipping
Authors: Okuchi Sachi , Fushimi Yasutaka , Yoshida Kazumichi , Nakajima Satoshi , Sakata Akihiko , Hinoda Takuya , Otani Sayo , Sagawa Hajime , Zhou Kun , Yamao Yukihiro , Okawa Masakazu , Nakamoto Yuji
Published: October 2022

Diffusion-weighted magnetic resonance imaging is prone to have susceptibility artifacts in an inhomogeneous magnetic field. We compared distortion and artifacts among three diffusion acquisition techniques (single-shot echo-planar imaging [SS-EPI DWI], readout-segmented EPI [RESOLVE DWI], and 2D turbo gradient- and spin-echo diffusion-weighted imaging with non-Cartesian BLADE trajectory [TGSE-BLADE DWI]) in healthy volunteers and in patients with a cerebral aneurysm clip. Seventeen healthy volunteers and 20 patients who had undergone surgical cerebral aneurysm clipping were prospectively enrolled. SS-EPI DWI, RESOLVE DWI, and TGSE-BLADE DWI of the brain were performed using 3 T scanners. Distortion was the least in TGSE-BLADE DWI, and lower in RESOLVE DWI than SS-EPI DWI near air–bone interfaces in healthy volunteers (P < 0.001). Length of clip-induced artifact and distortion near the metal clip were the least in TGSE-BLADE DWI, and lower in RESOLVE DWI than SS-EPI DWI (P < 0.01). Image quality scores for geometric distortion, susceptibility artifacts, and overall image quality in both healthy volunteers and patients were the best in TGSE-BLADE DWI, and better in RESOLVE DWI than SS-EPI DWI (P < 0.001). Among the three DWI sequences, image quality was the best in TGSE-BLADE DWI in terms of distortion and artifacts, in both healthy volunteers and patients with an aneurysm clip.
Ventilation improvement and evaluation of its effectiveness in a Japanese manufacturing factory
Authors: Kitamura Hiroko , Ishigaki Yo , Ohashi Hideaki , Yokogawa Shinji
Published: October 2022

A coronavirus disease 2019 (COVID-19) cluster emerged in a manufacturing factory in early August 2021. In November 2021, we conducted a ventilation survey using the tracer gas method. Firstly, we reproduce the situation at the time of cluster emergence and examined whether the ventilation in the office was in a condition that increased the risk of aerosol transmission. Secondly, we verified the effectiveness of the factory’s own countermeasure implemented immediately after the August cluster outbreak. Furthermore, we verified the effectiveness of several additional improvement measures on the factory’s own countermeasures already installed in August. Under the conditions of the cluster emergence, the air changes per hour (ACH) value was 0.73 ACH on average. The ACH value was less than 2 ACH recommended by the Ministry of Health, Labour, and Welfare, suggesting an increased risk of aerosol transmission. The factory’s own countermeasures taken immediately in August were found to be effective, as the ACH value increased to 3.41 ACH on average. Moreover, it was confirmed that additional improvement measures on the factory’s own countermeasures increased the ACH value to 8.33 ACH on average. In order to prevent the re-emergence of COVID-19 clusters due to aerosol infection in the office, it was found that while continuing the factory’s own countermeasure, additional improvement measures should also be added depending on the number of workers in the room. In a company, it is important that workers themselves continue to take infection control measures autonomously, and confirming the effectiveness of the measures will help maintain workers’ motivation. We believe it is helpful that external researchers in multiple fields and internal personnel in charge of the health and safety department and occupational health work together to confirm the effectiveness of conducted measures, such as in this case.
Adaptation to host cell environment during experimental evolution of Zika virus
Authors: Grass Vincent , Hardy Emilie , Kobert Kassian , Talemi Soheil Rastgou , Décembre Elodie , Guy Coralie , Markov Peter V. , Kohl Alain , Paris Mathilde , Böckmann Anja , Muñoz-González Sara , Sherry Lee , Höfer Thomas , Boussau Bastien , Dreux Marlène
Published: October 2022

Zika virus (ZIKV) infection can cause important developmental and neurological defects in Humans. Type I/III interferon responses control ZIKV infection and pathological processes, yet the virus has evolved various mechanisms to defeat these host responses. Here, we established a pipeline to delineate at high-resolution the genetic evolution of ZIKV in a controlled host cell environment. We uncovered that serially passaged ZIKV acquired increased infectivity and simultaneously developed a resistance to TLR3-induced restriction. We built a mathematical model that suggests that the increased infectivity is due to a reduced time-lag between infection and viral replication. We found that this adaptation is cell-type specific, suggesting that different cell environments may drive viral evolution along different routes. Deep-sequencing of ZIKV populations pinpointed mutations whose increased frequencies temporally coincide with the acquisition of the adapted phenotype. We functionally validated S455L, a substitution in ZIKV envelope (E) protein, recapitulating the adapted phenotype. Its positioning on the E structure suggests a putative function in protein refolding/stability. Taken together, our results uncovered ZIKV adaptations to the cellular environment leading to accelerated replication onset coupled with resistance to TLR3-induced antiviral response. Our work provides insights into Zika virus adaptation to host cells and immune escape mechanisms.
Genomic evolution towards azole resistance in Candida glabrata clinical isolates unveils the importance of CgHxt4/6/7 in azole accumulation
Authors: Galocha Mónica , Viana Romeu , Pais Pedro , Silva-Dias Ana , Cavalheiro Mafalda , Miranda Isabel M. , Van Ende Mieke , Souza Caio S. , Costa Catarina , Branco Joana , Soares Cláudio M. , Van Dijck Patrick , Rodrigues Acácio G. , Teixeira Miguel C.
Published: October 2022

The increasing prevalence of candidosis caused byCandida glabratais related to its ability to acquire azole resistance. Although azole resistance mechanisms are well known, the mechanisms for azole import into fungal cells have remained obscure. In this work, we have characterized two hexose transporters inC. glabrataand further investigate their role as potential azole importers. Three azole susceptibleC. glabrataclinical isolates were evolved towards azole resistance and the acquired resistance phenotype was found to be independent ofCgPDR1orCgERG11mutations. Through whole-genome sequencing,CgHXT4/6/7was found to be mutated in the three evolved strains, when compared to their susceptible parents. CgHxt4/6/7 and the 96% identical CgHxt6/7 were found to confer azole susceptibility and increase azole accumulation inC. glabratacells, strikingly rescuing the susceptibility phenotype imposed byCgPDR1deletion, while the identified loss-of-function mutation inCgHXT4/6/7, leads to increased azole resistance. In silico docking analysis shows that azoles display a strong predicted affinity for the glucose binding site of CgHxt4/6/7. Altogether, we hypothesize that hexose transporters, such as CgHxt4/6/7 and CgHxt6/7, may constitute a family of azole importers, involved in clinical drug resistance in fungal pathogens, and constituting promising targets for improved antifungal therapy.
Spin-triplet pairing induced by near-neighbor attraction in the extended Hubbard model for cuprate chain
Authors: Qu Dai-Wei , Chen Bin-Bin , Jiang Hong-Chen , Wang Yao , Li Wei
Published: October 2022

In quantum materials, the electronic interaction and the electron-phonon coupling are, in general, two essential ingredients, the combined impact of which may drive exotic phases. Recently, an anomalously strong electron-electron attraction, likely mediated by phonons, has been proposed in one-dimensional copper-oxide chain Ba2−xSrxCuO3+δ. Yet, it is unclear how this strong near-neighbor attraction V influences the superconductivity pairing in the system. Here we perform accurate many-body calculations to study the extended Hubbard model with on-site Coulomb repulsion U > 0 and near-neighbor attraction V < 0 that could well describe the cuprate chain and likely other similar transition-metal materials with both strong correlations and lattice effects. We find a rich quantum phase diagram containing an intriguing Tomonaga-Luttinger liquid phase — besides the spin density wave and various phase separation phases — that can host dominant spin-triplet pairing correlations and divergent superconductive susceptibility. Upon doping, the spin-triplet superconducting regime can be further broadened, offering a feasible mechanism to realize p-wave superconductivity in realistic cuprate chains.
Multiplexed imaging mass cytometry reveals distinct tumor-immune microenvironments linked to immunotherapy responses in melanoma
Authors: Xiao Xu , Guo Qian , Cui Chuanliang , Lin Yating , Zhang Lei , Ding Xin , Li Qiyuan , Wang Minshu , Yang Wenxian , Kong Yan , Yu Rongshan
Published: October 2022

Background

Single-cell technologies have enabled extensive analysis of complex immune composition, phenotype and interactions within tumor, which is crucial in understanding the mechanisms behind cancer progression and treatment resistance. Unfortunately, knowledge on cell phenotypes and their spatial interactions has only had limited impact on the pathological stratification of patients in the clinic so far. We explore the relationship between different tumor environments (TMEs) and response to immunotherapy by deciphering the composition and spatial relationships of different cell types.

Methods

Here we used imaging mass cytometry to simultaneously quantify 35 proteins in a spatially resolved manner on tumor tissues from 26 melanoma patients receiving anti-programmed cell death-1 (anti-PD-1) therapy. Using unsupervised clustering, we profiled 662,266 single cells to identify lymphocytes, myeloid derived monocytes, stromal and tumor cells, and characterized TME of different melanomas.

Results

Combined single-cell and spatial analysis reveals highly dynamic TMEs that are characterized with variable tumor and immune cell phenotypes and their spatial organizations in melanomas, and many of these multicellular features are associated with response to anti-PD-1 therapy. We further identify six distinct TME archetypes based on their multicellular compositions, and find that patients with different TME archetypes responded differently to anti-PD-1 therapy. Finally, we find that classifying patients based on the gene expression signature derived from TME archetypes predicts anti-PD-1 therapy response across multiple validation cohorts.

Conclusions

Our results demonstrate the utility of multiplex proteomic imaging technologies in studying complex molecular events in a spatially resolved manner for the development of new strategies for patient stratification and treatment outcome prediction.
Decreased psychiatric symptomatology after the onset of COVID-19 in a longitudinal college mental health study
Authors: Dogan Asli Ercan , Kebapci Dilek , Ertan Oguz , Kalay Zeynepgul , Caki Nurdan Kozan , Sar Vedat , Yapici Eser Hale
Published: October 2022

The COVID-19 pandemic brings significant challenges for college students. This study aims to investigate changes in psychiatric symptomatology among them compared to the pre-pandemic period alongside their determinants. Data are collected before and 3 months after the onset of the pandemic from 168 students who applied to a college mental health center. Psychiatric symptomatology is assessed by the Patient Health Questionnaire-9 (PHQ-9), Generalized Anxiety Disorder-7 (GAD-7), and Adult Attention Deficit Hyperactivity Disorder Self-Report Scale (ASRS). Possible vulnerability factors are screened by a survey on COVID-19-related health and social isolation status, Fear of COVID-19 Scale, Social Media Use Disorder Scale (SMDS), Distress Thermometer, Scoff Eating Questionnaire, and International Physical Activity Questionnaire Short-Form (IPAQ). Results show decreased PHQ-9, GAD-7, and ASRS scores at follow-up. Even though the screen time increases, SMDS scores significantly decline. SMDS have a direct effect on PHQ-9 and ASRS levels, in addition to an indirect effect through the Distress Thermometer. Higher SMDS scores predict higher anxious and depressive symptomatology in repeated assessments. Fear of COVID-19 scores have a direct effect on GAD-7 scores only. This study suggests that the stress level and psychiatric symptomatology of the students decreased significantly in the early phases of the pandemic. The level of social media use disorder should be taken into account while following college students with mental health symptoms.
A template-free assembly of Cu,N-codoped hollow carbon nanospheres as low-cost and highly efficient peroxidase nanozymes
Authors: Tao Xian-Sen , Liu Yuan , Gan Ying , Li Yue-Tong , Sha Jingquan , Cao An-Min
Published: October 2022

Utilizing Cu2+-coordinated poly(m-phenylenediamine) as the precursor, Cu,N-codoped hollow carbon nanospheres as low-cost and highly efficient peroxidase nanozymes were assembled through a template-free strategy for the first time.
Process integrated biosensors for real-time monitoring of antibodies for automated affinity purification
Authors: Tran Thuy , Martinsson Erik , Gustavsson Robert , Tronarp Otto , Nilsson Mats , Hansson Kristoffer Rudenholm , Lundström Ingemar , Mandenius Carl-Fredrik , Aili Daniel
Published: October 2022

A sensor technology for in-line detection of monoclonal antibodies (mAbs) in affinity capture steps is demonstrated. Continuous mAb monitoring during multiple consecutive purification cycles can facilitate automatization and continuous processing.
Dendritic lipopeptide liposomes decorated with dual-targeted proteins
Authors: Zhou Sensen , Li Cheng , Yuan Yang , Jiang Lei , Chen Weizhi , Jiang Xiqun
Published: October 2022

A tumor-targeted dendritic lipopeptide liposome was developed to improve the anticancer effect of loaded drugs by enhancing tumor targeting, cancer cell endocytosis and tumor penetration.
Hierarchically mesoporous Ce-based MOFs with enhanced alkaline phosphatase-like activity for phosphorylated biomarker sensing
Authors: Gao Rui , Ye Niru , Kou Xiaoxue , Shen Yujian , Yang Huangsheng , Wu Tong , Huang Siming , Chen Guosheng , Ouyang Gangfeng
Published: October 2022

We developed a hierarchically mesoporous metal–organic framework nanozyme with enhanced alkaline phosphatase-mimicking activity for rapid and sensitive sensing of phosphorylated biomarkers.
Solid-state stability of Z′ < 1 and Z′ = 2 polymorphs of N,N,N′,N′-tetrabenzylethylenediamine: a combined experimental and theoretical study
Authors: Wang Zhen , Cui Xiaoxiao , Famulari Antonino , Martí-Rujas Javier , Kariuki Benson M. , Guo Fang
Published: October 2022

The reported polymorphism in a highly flexible ligand gives a structure that is considered as a “crystal on the way” belonging to a metastable phase.
The role of terphenyl-containing carboxylic acid in the oligomerization of aryl vinyl ketone
Authors: Bondarenko G. N. , Karpov O. N. , Shandryuk G. A. , Finko A. V. , Derikov Y. I. , Mikhalyonok S. G. , Bezborodov V. S. , Talroze R. V.
Published: October 2022

8-((4′′-((1R,4S)-4-butylcyclohexyl)-2′-chloro-[1,1′,4′,1′′-terphenyl]-4-yl)oxy)oct-1-en-3-one (TERPh-VK) and 6-((4′′-((1R,4S)-4-butylcyclohexyl)-2′-chloro-[1,1′:4′,1′′-terphenyl]-4-yl)oxy) hexanoic acid (TERPh-COOH) are, analyzed by FTIR spectroscopy.
The active structure of p-block SnNC single-atom electrocatalysts for the oxygen reduction reaction
Authors: Chen Yuping , Sun Fang , Tang Qing
Published: October 2022

The active structure and activity origin of intriguing SnNC single-atom catalysts in the oxygen reduction reaction are rationalized by theoretical simulations.
Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu5–Cu5)n (n < 3) cases
Authors: Fernández Berta , de Lara-Castells María Pilar
Published: October 2022

Recent developments in new synthesis techniques have allowed the production of precise monodisperse metal clusters composed of a few atoms. The study of these clusters represents a challenge for theoretical investigations.
Combinatorial neutron imaging methods for hydrogenation catalysts
Authors: Nikolic Marin , Longo Filippo , Billeter Emanuel , Cesarini Alessia , Trtik Pavel , Borgschulte Andreas
Published: October 2022

Combinatorial approach based on neutron imaging is capable of measuring more than 50 samplesin situunder identical reaction conditions in one experiment.
Bio-macromolecular design roadmap towards tough bioadhesives
Authors: Montazerian Hossein , Davoodi Elham , Baidya Avijit , Badv Maryam , Haghniaz Reihaneh , Dalili Arash , Milani Abbas S. , Hoorfar Mina , Annabi Nasim , Khademhosseini Ali , Weiss Paul S.
Published: October 2022

Bioadhesive materials are promising candidates for sealing wounds as replacements for suturing and stapling techniques. Design of biomaterials involves introducing adhesive functionality into tough polymer networks.
Organometallic flow chemistry: solvento complexes
Authors: Frogley Benjamin J. , Hill Anthony F. , Onagi Hideki , Watson Lachlan J.
Published: October 2022

In-flow photochemical methods allow the convenient synthesis ‘on-demand’ of ubiquitous tetrahydrofuran organometallic solvento complexes, e.g., [M(THF)(CO)5] (M = Cr, Mo, W) and [M(THF)(CO)2(η-L)] (M = Mn, Re; L = C5H5, C5H4Me, C5Me5).
A new supramolecular bonding motif involving NH bonds of ammonium salts and macrocycles derived from platinum corners and butadiynediyl linkers
Authors: Collins Brenna K. , Bhuvanesh Nattamai , Gladysz John A.
Published: October 2022

The title Pt4C16 species can give roughly planar geometries in crystals, but afford folded forms with ammonium cations, which are captured like unsuspecting prey and potentially fossilized as with the ancient creatures who once roamed the galaxy.
Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes
Authors: Pantalon Juraj Natalija , Tandarić Tana , Tadić Vanja , Perić Berislav , Moreth Dominik , Schatzschneider Ulrich , Brozovic Anamaria , Vianello Robert , Kirin Srećko I.
Published: October 2022

Modifications of the chiral side chains of bpa and imda ligands lead to different metal ion coordination and hydrogen bonding ability.
Machine learning-assisted ultrafast flash sintering of high-performance and flexible silver–selenide thermoelectric devices
Authors: Saeidi-Javash Mortaza , Wang Ke , Zeng Minxiang , Luo Tengfei , Dowling Alexander W. , Zhang Yanliang
Published: October 2022

The first machine learning-assisted ultrafast flash sintering of flexible silver–selenide TE devices. Bayesian optimization of flash sintering variables led to a PF of 2205 μW m−1 K−2 and a zT of 1.1 at room temperature realized with a sintering time less than 1.0 second.
The nitrogen removal performance and microbial communities in a pilot multistage trickling constructed wetland for purifying polluted groundwater
Authors: Xu Dan , Ling Huilan , Li Zebing , Li Yun , Chen Renxiang , Gao Bai
Published: October 2022

The co-existence of phototrophic organisms, nitrifiers, and denitrifiers contributed to N removal in a multi-stage trickling constructed wetland system for the treatment of contaminated groundwater without adding organic carbon.
The influence of more concentrated energy distribution formed by an aspheric lens with eliminated spherical aberration on laser-induced air breakdown
Authors: Li Shenglin , Hu Zhenlin , Zhou Yunpeng , Zhang Deng , Wang Weiliang , Gu Yang , Sattar Harse , Cheng Wen , Guo Lianbo
Published: October 2022

Using an aspheric lens for laser focusing solves the energy dispersion caused by spherical aberration, reducing the plasma fluctuations.
DLP 3D printed hydrogels with hierarchical structures post-programmed by lyophilization and ionic locking
Authors: Sun Zhuo , Zhao Qian , Ma Sainan , Wu Jingjun
Published: October 2022

Post-programming of lyophilization and ionic locking endows a DLP 3D printed hydrogel with hierarchical porosities and excellent mechanical properties for application in solar vapor generation.
Optically addressable dielectric elastomer actuator arrays using embedded percolative networks of zinc oxide nanowires
Authors: Hajiesmaili Ehsan , Clarke David R.
Published: October 2022

A new class of optically addressable dielectric elastomer actuators is presented that utilize the photoconductivity of semiconducting zinc oxide nanowires to create optically switchable and stretchable electrical channels.
Plasmonic photothermal activation of an organosilica shielded cold-adapted lipase co-immobilised with gold nanoparticles on silica particles
Authors: Giunta Carolina I. , Nazemi Seyed Amirabbas , Olesińska Magdalena , Shahgaldian Patrick
Published: October 2022

Photothermal activation of CalB enzymes, co-immobilised with gold nanoparticles onto a silica scaffold and shielded by a nanometre-thin organosilica layer, allows the enzymes to function better at low temperatures.
β-Cyclodextrin-based supramolecular nanoparticles: pH-sensitive nanocarriers for the sustained release of anti-tumor drugs
Authors: Li Bi-Lian , Wang Chun-Lei , Wang Qin , Yang Jian-Mei , Chi Shao-Ming , Chen Jian-Chong , Zhang Jin , Zhao Yan
Published: October 2022

CSL-loaded SBE7-β-CD/HDBAC nanoparticles present pH-trigger controlled release properties, which may enhence the therapeutic effects of the anti-tumor compound CSL.
Hollow Co nanoparticle/carbon nanotube composite foam for efficient electrocatalytic hydrogen evolution
Authors: Li Ziying , Zang Linlin , Xu Qing , Shen Fengtong , Wang Jingzhen , Zhang Ying , Zhang Yanhong , Sun Liguo
Published: October 2022

The electrochemical hydrogen evolution reaction (HER) requires highly efficient electrocatalysts.
Electrical conductivity and corrosion resistance of aluminum-based hydrophobic infusion surface
Authors: Zhang Haili , Xu Chenggong , Huang Jinxia , Guo Zhiguang
Published: October 2022

The electrical conductivity of SLIPS-A has a negative correlation with the increasing corrosion resistance.
An effectively enhanced vapor phase hybridized conductive polymer based on graphene oxide and glycerol influence for strain sensor applications
Authors: Palicpic Coleen M. , Khadka Roshan , Yim Jin-Heong
Published: October 2022

An effectively enhanced graphene-based TPU-GPS-GLY based strain sensor was prepared by modifying TPU-GPS with the help of glycerol incorporation. An efficient method was shown for the significant improvement of the performance as a strain sensor.
Effect of formamidinium (FA) ions on mixed ‘A’-site based bromide perovskite (APbBr3) thin films
Authors: Aloysius Deepak , Mondal Arindam , Gupta Satyajit , Edri Eran , Mukhopadhyay Sabyasachi
Published: October 2022

Effect of formamidinium (FA) ions on the ‘A’-site of a bromide perovskite (APbBr3).
Design strategy of a Cu-based catalyst for optimizing the performance in the electrochemical CO2reduction reaction to multicarbon alcohols
Authors: Ni Zhiyuan , Wang Peng , Quan Fan , Guo Rui , Liu Chunming , Liu Xuanwen , Mu Wenning , Lei Xuefei , Li Qingjun
Published: October 2022

The electrochemical CO2reduction reaction (ECRR) is a promising method to reduce excessive CO2emissions and achieve a sustainable carbon cycle.
Synthesis, odor characteristics and biological evaluation of N-substituted pyrrolyl chalcones
Authors: Hu Jingyi , Ji Xiaoming , Su Fangyao , Zhao Qianrui , Zhang Ganlin , Zhao Mingqin , Lai Miao
Published: October 2022

Base-mediated transition-metal free α-functionalization of N-substituted acetylpyrroles with commercial alcohols to generate various pyrrolyl chalcones is reported, and several prominent bioactive and flavor molecules were obtained.
SnCl4-mediated one-pot synthesis of 2,4,5-trisubstituted thiazoles from nitro-substituted donor–acceptor cyclopropanes and thioamides
Authors: Meenakshi Maniarasu , Srinivasan Kannupal
Published: October 2022

The treatment of nitro-substituted donor–acceptor cyclopropanes with SnCl4 and the subsequent reaction with thioamides provide one-pot access to thiazoles.
Widely applicable (radio)dihalogenation of alkynes and alkenes using two different nucleophilic alkali metal halides
Authors: Liu Shiwen , Zhang Yueying , Gong Kehao , Zeng Xiaojun , Xie Fang , Xu Bo , Han Junbin
Published: October 2022

A hydrogen bond donor solvent-assisted highly regio- and stereoselective difunctionalization of alkynes and alkenes using two nucleophilic alkali metal salts as halogenation reagents.
Synthesis, characterization, antimicrobial activity, and toxicity evaluation of aminolevulinic acid–silver and silver–iron nanoparticles for potential applications in agriculture
Authors: Franzolin Marcia Regina , Lopes Isabela Santos , Courrol Daniella dos Santos , de Souza Barreto Susana , Courrol Lilia Coronato
Published: October 2022

ALA is a natural metabolite in all living cells and possesses low toxicity. ALANPs exhibit high antimicrobial activity, promote plant growth and have the potential to show photodynamic herbicidal properties under solar illumination.
Current state of copper-based bimetallic materials for electrochemical CO2 reduction: a review
Authors: Zoubir Otmane , Atourki Lahoucine , Ait Ahsaine Hassan , BaQais Amal
Published: October 2022

The increasing CO2 concentration in the atmosphere has caused profound environmental issues such as global warming.
Synthesis and properties of high performance thermoplastic polycarbonate polyurethane elastomers through a non-isocyanate route
Authors: Liu Tong , Yang Xiangui , Zhang Shuqing , Wang Qingyin , Jiang Ning , Wang Gongying
Published: October 2022

Thermoplastic polyurethanes (TPUs) are synthesized by an environmentally friendly route and the obtained TPUs exhibit comparable or even better mechanical properties than conventional TPU.
Gaussian field-based 3D-QSAR and molecular simulation studies to design potent pyrimidine–sulfonamide hybrids as selective BRAFV600Einhibitors
Authors: Singh Ankit Kumar , Novak Jurica , Kumar Adarsh , Singh Harshwardhan , Thareja Suresh , Pathak Prateek , Grishina Maria , Verma Amita , Yadav Jagat Pal , Khalilullah Habibullah , Pathania Vikas , Nandanwar Hemraj , Jaremko Mariusz , Emwas Abdul-Hamid , Kumar Pradeep
Published: October 2022

Design of pyrimidine–sulfonamide hybrids as selective BRAFV600Einhibitors using 3D-QSAR, molecular docking and MD simulations.
Bayesian optimization of electrochemical devices for electrons-to-molecules conversions: the case of pulsed CO2 electroreduction
Authors: Frey Daniel , Neyerlin K. C. , Modestino Miguel A.
Published: October 2022

Bayesian optimization (BO) was implemented to improve a membrane electrode assembly CO2 electroreduction device undergoing pulsed operation.
MOF-derived carbon coated Cu3P with Ni doping as advanced supercapacitor electrode materials
Authors: He Xuan , Jin Yuhong , Jia Miao , Jia Mengqiu , Wang Hao , Imran Muhammad
Published: October 2022

Metal phosphide materials have drawn much attention due to their high supercapacitive activity.
Bio-inspired self-healing flexible films with pomegranate-shaped nanosphere loaded graphene for electromagnetic interference shielding and superhydrophobicity performances
Authors: Zhou Jianlin , Yuan Zhonghua , Liu Han , He Weixing , Yu Kejing , Chen Kunlin
Published: October 2022

Inspired by the pomegranate structure and gecko feet, a multi-stimuli self-healing flexible film with EMI shielding and superhydrophobicity was fabricated, which produces a long-term stable performance in a complicated outdoor environment.
Photocatalytic hydrogen evolution from water based on Zn–terpyridine 2D coordination nanosheets
Authors: Xiang Shuo , Khan Arshad , Zhou Zeyan , He Bingling , Wang Xin , Wang Binju , Weng Qunhong
Published: October 2022

A zinc bis-terpyridine coordination nanosheet (Zn–Typ CONASH) is designed and shows a reduced optical band gap of 1.70 eV and impressive photocatalytic hydrogen evolution activity of 11.84 mmol g−1 h−1.
Dynamic weak coordination bonding of chlorocarbons enhances the catalytic performance of a metal–organic framework material
Authors: Park Sun Ho , Peralta Ricardo A. , Moon Dohyun , Jeong Nak Cheon
Published: October 2022

Solvents with weak coordination bonding (e.g., TCM and DCM) confined in the nanopores of a metal–organic framework undergo dynamic coordination exchange with stronger Lewis-basic solvents (e.g., H2O), and they lead to enhanced catalytic efficiency.
Enhanced electrocatalytic nitrite reduction to ammonia over P-doped TiO2 nanobelt array
Authors: Ouyang Ling , He Xun , Sun Shengjun , Luo Yongsong , Zheng Dongdong , Chen Jie , Li Yinwei , Lin Yuxiao , Liu Qian , Asiri Abdullah M. , Sun Xuping
Published: October 2022

P-doped TiO2 nanobelt array supported on titanium plate acts as a high efficiency electrocatalyst for NO2− reduction reaction, attaining a satisfactory faradaic efficiency of 90.6% and a large NH3 yield as high as 560.8 μmol h−1 cm−2.
An artificially tailored functional layer on Li-rich layer cathodes enables a stable high-temperature interphase for Li-ion batteries
Authors: Yang Yaru , Sun Gang , Zhu Qingjun , Jiang Yunshan , Ke Wang , Wang Panpan , Zhao Yang , Zhang Wang , Wang Zhenbo
Published: October 2022

The unstable electrode–electrolyte interphase of Li-rich cathodes limit their application. Here an ultrathin Li2SiO3 protective layer with super toughness and functionality is constructed on the surface of Li-rich cathodes by atom layer deposition.
Theoretical insights into single-pole quadruple-throw (SP4T) inorganic nonlinear optics molecular switch of Na(HCN)3Na: from superalkali to superalkalides
Authors: Wang Zhi-Jun , Wang Yin-Feng , Zeng Jia-Mei , Zhang Wen , Liu Xue-Xia , Li Jia , Li Zhi-Ru
Published: October 2022

An electric field can drive electride-like superalkali Na(HCN)3Na (1) switches into superalkalides Na+(HCN)3Na−(2 and 3)viaother superalkalides Na+(HCN)3Na−(2a and 3a) to form a SP4T NLO switch.
Molecular engineering of ruthenium(ii) complexes with (3-polyamino)phenanthroline ligands for developing reusable optical sensors for Cu(ii) ions
Authors: Abel Anton S. , Cheprakov Andrey V. , Averin Alexei D. , Beletskaya Irina P. , Meyer Michel , Brandès Stéphane , Laly Myriam , Bessmertnykh-Lemeune Alla , Rigolet Séverinne
Published: October 2022

A reusable sensor based on a phosphonate-substituted Ru(ii) complex allows for selective detection as low as 10−13M of Cu2+ions in aqueous solutions.
Ultrawide-frequency electromagnetic-wave absorption based on FeCoNiCuxMn high entropy alloys synthesized through swing ball-milling
Authors: Zhou Haoran , Jiang Linwen , Jia Lei , Tang Zhuo , Wang Lingling , Wu Anhua , Zhang Xiaofeng
Published: October 2022

FeCoNiCuxMn (x = 0, 0.1, 0.3, 0.5, 0.7 and 0.9) and FeCoNiCu0.1MnB0.05 high entropy alloys (HEAs) were prepared via an improved swing ball-milling method.
Defect engineering in antimony selenide thin film solar cells
Authors: Wijesinghe Udari , Longo Giulia , Hutter Oliver S.
Published: October 2022

The complicated and unconventional defect chemistry of Sb2Se3 largely dictates photovoltaic device performance. This comprehensive review aims to increase understanding of defect engineering, which is essential for further efficiency improvements.
MLfus: A real‐time forecasting architecture for low communication costs in electricity IoT based on ensemble learning
Authors: Li Wenjing , Zhang Nan , Liu Zhu , Ma Shiqian , Ke Huaqiang , Wang Jinfa , Chen Ting
Published: October 2022

With the application and popularity of Internet of Things (IoT) technology, real‐time prediction of time series data has become the focus of electricity IoT data governance. At present, most of the time‐series data prediction methods for the electricity IoT have the defect of being unable to process‐related information between sequences. What's worse, the mainstream data fusion methods all have the problem of limited data dimension. This paper proposes a decision‐level fusion architecture MLfus for multi‐source time‐series data generated under the distributed cloud edge structure of the electricity IoT. The model uses ensemble learning to make decisions and judgments on distributed time‐series data and integrates multi‐source data to make real‐time predictions. MLfus solves the problem of significantly biased predictions from a single model and excels in handling complex nonlinear problems. What's more, MLfus can reduce data and additional training requirements substantially by using decision‐level fusion. Experimental results show that MLfus has a clear advantage in the problem of real‐time electricity price prediction, providing better accuracy while reducing the communication burden.
A novel online method for locating fault coil in direct‐drive permanent magnet synchronous motor with inter‐turn short‐circuit fault using search coil array
Authors: Chen Hao , Zhang Nan , Gao Caixia , Xu Xiaozhuo , Feng Haichao , Si Jikai , Hu Yihua
Published: October 2022

This study presents a fault coil localisation approach for a direct‐drive permanent magnet synchronous motor (DDPMSM) with inter‐turn short‐circuit fault (ISF) using the search coil (SC) array. The SCs are wound around specific stator tooth of DDPMSM through the proposed SC array arrangement principle, which reduces the invasiveness of the fault coil localisation method. The SCs are classified as several search coil groups (SCGs), the differential between SC back electromotive forces (EMFs) in the same SCGs (δ1) and SC residual back EMF (δ2) are used as fault indicators for ISF localisation. The peak values extracted from δ1 and δ2 are the basis for diagnosing ISF. Hence, the proposed approach does not need a complicated signal processing algorithm, and it is less complex. First, the SC back EMF analytical model is developed to investigate the mapping relationship between the back EMF of each SC and fault coil location. Second, fault coil localisation indicators for ISF are analysed based on the proposed analytical model, and the exact ISF localisation approach is presented. Finally, two basic installation units and the arrangement principle of SC array in DDPMSM are proposed. Simulation and experimental results justify the effectiveness of the selected fault indicators and the feasibility of the proposed SC array for diagnosing ISF.