bluuebunny/crossref_metadata_2025 huggingface dataset:
Reactivating hippocampal-mediated memories during reconsolidation to disrupt fear
Authors: Grella Stephanie L. , Fortin Amanda H. , Ruesch Evan , Bladon John H. , Reynolds Leanna F. , Gross Abby , Shpokayte Monika , Cincotta Christine , Zaki Yosif , Ramirez Steve
Published: September 2022

Memories are stored in the brain as cellular ensembles activated during learning and reactivated during retrieval. Using the Tet-tag system in mice, we label dorsal dentate gyrus neurons activated by positive, neutral or negative experiences with channelrhodopsin-2. Following fear-conditioning, these cells are artificially reactivated during fear memory recall. Optical stimulation of a competing positive memory is sufficient to update the memory during reconsolidation, thereby reducing conditioned fear acutely and enduringly. Moreover, mice demonstrate operant responding for reactivation of a positive memory, confirming its rewarding properties. These results show that interference from a rewarding experience can counteract negative affective states. While memory-updating, induced by memory reactivation, involves a relatively small set of neurons, we also find that activating a large population of randomly labeled dorsal dentate gyrus neurons is effective in promoting reconsolidation. Importantly, memory-updating is specific to the fear memory. These findings implicate the dorsal dentate gyrus as a potential therapeutic node for modulating memories to suppress fear.
A (quasi-)polynomial time heuristic algorithm for synthesizing T-depth optimal circuits
Authors: Gheorghiu Vlad , Mosca Michele , Mukhopadhyay Priyanka
Published: September 2022

We investigate the problem of synthesizing T-depth optimal quantum circuits for exactly implementable unitaries over the Clifford+T gate set. We construct a subset,$${{\mathbb{V}}}_{n}$$Vn, of T-depth 1 unitaries. T-depth-optimal decomposition of unitaryUis$${e}^{i\phi }\left({\prod }_{i}{V}_{i}\right)C$$eiϕ∏iViC,$${V}_{i}\in {{\mathbb{V}}}_{n}$$Vi∈Vn,Cis Clifford and$$| {{\mathbb{V}}}_{n}| \,\le \,n\cdot {2}^{5.6n}$$∣Vn∣≤n⋅25.6n. We use nested meet-in-the-middle technique to synthesize provably depth-optimal and T-depth-optimal circuits. For the latter, we achieve space and time complexity$$O({({4}^{{n}^{2}})}^{\lceil d/c\rceil })$$O((4n2)⌈d/c⌉)and$$O({({4}^{{n}^{2}})}^{(c-1)\lceil d/c\rceil })$$O((4n2)(c−1)⌈d/c⌉)respectively (dis the minimum T-depth,c ≥ 2 a constant). The previous best algorithm had complexity$$O({({3}^{n}\cdot {2}^{k{n}^{2}})}^{\lceil \frac{d}{2}\rceil }\cdot {2}^{k{n}^{2}})$$O((3n⋅2kn2)⌈d2⌉⋅2kn2)(k > 2.5 a constant). We design a more efficient algorithm with space and time complexity poly(n, 25.6n, d) (or$${{{\rm{poly}}}}({n}^{\log n},{2}^{5.6n},d)$$poly(nlogn,25.6n,d)with weaker assumptions). The claimed efficiency, optimality depends on conjectures.
Projecting 1 km-grid population distributions from 2020 to 2100 globally under shared socioeconomic pathways
Authors: Wang Xinyu , Meng Xiangfeng , Long Ying
Published: September 2022

Spatially explicit population grid can play an important role in climate change, resource management, sustainable development and other fields. Several gridded datasets already exist, but global data, especially high-resolution data on future populations are largely lacking. Based on the WorldPop dataset, we present a global gridded population dataset covering 248 countries or areas at 30 arc-seconds (approximately 1 km) spatial resolution with 5-year intervals for the period 2020–2100 by implementing Random Forest (RF) algorithm. Our dataset is quantitatively consistent with the Shared Socioeconomic Pathways’ (SSPs) national population. The spatially explicit population dataset we predicted in this research is validated by comparing it with the WorldPop dataset both at the sub-national and grid level. 3569 provinces (almost all provinces on the globe) and more than 480 thousand grids are taken into verification, and the results show that our dataset can serve as an input for predictive research in various fields.
More optimal relativistic quantum key distribution
Authors: Bebrov Georgi
Published: September 2022

A great challenge in the field of quantum cryptography is the design and implementation of optimal quantum key distribution (QKD) scheme. An optimal scheme in terms of security is the so-called relativistic quantum key distribution; it ensures the security of the system by using both quantum phenomena and relativity. However, the existing relativistic schemes have not demonstrated optimality in terms of efficiency and rate (including secret key rate). Here we report two point-to-point relativistic quantum key distribution schemes implemented with weak coherent pulses. Both schemes rely on high-dimensional quantum systems (phase and polarization encodings are utilized for establishing key bits). One of the proposed schemes is a system comprised of two sequentially connected interferometers, as the first (interferometer) controls the behavior of the second one. The other proposed scheme represents a setup of a classic relativistic QKD, but with slight modification. Both of the proposed schemes are characterized with high secret key rate. The latter scheme has the highest secret key rate of all the relativistic QKD protocols. However, the values for the secret key rate are relevant for distances of up to 150 km. The former scheme has lower secret key rate, but longer operating distances (the work could operate at distances of up to 320 km). Those values of rate are obtained without disturbing the security. Secret-key-rate comparison between distinct models is reported. The proposed relativistic models are compared to twin-field QKD protocols. Furthermore, the work proposes a metric for evaluating the optimality of a QKD. It is defined as a ratio between the secret key rate (at a given distance) and the amount of quantum resources (qubits) used in the QKD of concern. It is shown that one of the proposed schemes in this article is the most optimal relativistic key distribution and more optimal than the original twin-field. It is also verified that the proposed schemes excels the original twin-field in terms of secret key rate, but for short distances.
Activation of SIRT1 promotes membrane resealing via cortactin
Authors: Iwahara Naotoshi , Azekami Kuya , Hosoda Ryusuke , Nojima Iyori , Hisahara Shin , Kuno Atsushi
Published: September 2022

Muscular dystrophies are inherited myopathic disorders characterized by progressive muscle weakness. Recently, several gene therapies have been developed; however, the treatment options are still limited. Resveratrol, an activator of SIRT1, ameliorates muscular function in muscular dystrophy patients and dystrophin-deficient mdx mice, although its mechanism is still not fully elucidated. Here, we investigated the effects of resveratrol on membrane resealing. We found that resveratrol promoted membrane repair in C2C12 cells via the activation of SIRT1. To elucidate the mechanism by which resveratrol promotes membrane resealing, we focused on the reorganization of the cytoskeleton, which occurs in the early phase of membrane repair. Treatment with resveratrol promoted actin accumulation at the injured site. We also examined the role of cortactin in membrane resealing. Cortactin accumulated at the injury site, and cortactin knockdown suppressed membrane resealing and reorganization of the cytoskeleton. Additionally, SIRT1 deacetylated cortactin and promoted the interaction between cortactin and F-actin, thus possibly enhancing the accumulation of cortactin at the injury site. Finally, we performed a membrane repair assay using single fiber myotubes from control and resveratrol-fed mice, where the oral treatment with resveratrol promoted membrane repair ex vivo. These findings suggest that resveratrol promotes membrane repair via the SIRT1/cortactin axis.
In situ facile green synthesis of Ag–ZnO nanocomposites using Tetradenia riperia leaf extract and its antimicrobial efficacy on water disinfection
Authors: Mtavangu Stanslaus G. , Machunda Revocatus L. , van der Bruggen Bart , Njau Karoli N.
Published: September 2022

In this work, Ag–ZnO nanocomposites were prepared by a green synthesis route using aqueous leaf extract of Tetradenia riperia and investigated for antibacterial activity against Escherichia coli and Staphylococcus aureus. To optimize the synthesis of the Ag–ZnO, the effects of precursor concentrations, pH, and temperatures were studied. The Ag–ZnO nanocomposites were characterized by XRD, ATR-FTIR, FESEM, and TEM. Results show that the concentration of 8% Ag, the temperature of 80 °C, and a pH of 7–8 were optimal for the synthesis of Ag–ZnO nanocomposites. The XRD analysis showed the decrease in particle size of Ag–ZnO from 23.6 to 14.8 nm with an increase in Ag concentrations, which was further supported by FESEM analysis. TEM image of 8% Ag provides more information on the coexistence of Ag on ZnO where an average particle size of 14.8 nm was determined. The ATR-FTIR analysis confirmed the presence of phenolic compounds, which work as reducing and stabilizing agents. The antimicrobial activity results show that Ag–ZnO nanocomposite demonstrated a higher antimicrobial potency on E. coli than on S. aureus. Therefore, Tetradenia riperia leaf extract is a viable route for the synthesis of Ag–ZnO nanocomposites to be used for various applications, including water disinfection.
New ecofriendly heterogeneous nano-catalyst for the synthesis of 1-substituted and 5-substituted 1H-tetrazole derivatives
Authors: Mashhoori Mahboobeh-Sadat , Sandaroos Reza
Published: September 2022

A novel ecofriendly heterogeneous catalyst containing Schiff base coordinated Cu(II) covalently attached to Fe3O4@SiO2nanoparticles through imidazolium linker [Fe3O4@SiO2-Im(Br)-SB-Cu (II)] was synthesized and characterized by using various techniques. The catalytic efficiency of this nano-catalyst was tested in water in the synthesis of tetrazole derivatives using two one-pot multicomponent reaction (MCR) models: The synthesis of 1-aryl 1H-tetrazole derivatives from the reaction of aniline, triethyl orthoformate, and sodium azide and the synthesis of 5-aryl 1H-tetrazole derivatives from the reaction of benzaldehyde, hydroxy amine hydrochloride, and sodium azide. The investigation showed that (i) The catalyst is highly efficient in the synthesis of tetrazole derivatives with high yield (97%) in aqueous medium and mild temperatures; (ii) The catalytic effectiveness is due to the synergy between the metallic center and the imidazolium ion and (iii) The reuse advantage of the catalyst without contamination or significant loss (12% of loss range) in the catalytic activity.
Association between trichomoniasis and prostate and bladder diseases: a population-based case–control study
Authors: Yang Hung-Yi , Su Ruei-Yu , Chung Chi-Hsiang , Huang Kuo-Yang , Lin Hsin-An , Wang Jui-Yang , Chen Chien-Chou , Chien Wu-Chien , Lin Hsin-Chung
Published: September 2022

Trichomonas vaginalis infection is one of the most widespread sexually transmitted infections in the world. There are approximately 276 million cases worldwide. Most men remain undiagnosed and untreated because they are asymptomatic. The chronic inflammation induced by persistent infection may increase the risk of developing genitourinary cancers. In this study, we aimed to investigate the association between trichomoniasis and benign prostate hyperplasia (BPH), prostate cancer (PCa), and bladder cancer (BC) in Taiwan. We designed a case–control study by using the database of the National Health Insurance program in Taiwan. We used the International Classification of Diseases, 9th Revision classifications to classify all the medical conditions in the case and control groups. All odds ratios (ORs) and 95% confidence intervals (CIs) were analyzed using multivariable logistic regression to adjust for all comorbidities and variables. From 2000 to 2015, we enrolled a total of 62,544 individuals as the case group and 187,632 as the control group. Trichomoniasis exposure had a significant association with BPH and PCa (adjusted OR: BPH = 2.685, 95% CI = 1.233–4.286, P = 0.013; PCa = 5.801, 95% CI = 1.296–26.035, P = 0.016). The relative risk was much higher if patients had both trichomoniasis and depression (adjusted OR = 7.682, 95% CI = 5.730–9.451, P < 0.001). Men with trichomoniasis had a significantly higher risk of developing BPH and PCa than those without. Healthcare professionals should not only pay more attention to disease treatment, but also to public health education.
An xception model based on residual attention mechanism for the classification of benign and malignant gastric ulcers
Authors: Liu Yixin , Zhang Lihang , Hao Zezhou , Yang Ziyuan , Wang Shanjuan , Zhou Xiaoguang , Chang Qing
Published: September 2022

To explore the application value of convolutional neural network combined with residual attention mechanism and Xception model for automatic classification of benign and malignant gastric ulcer lesions in common digestive endoscopy images under the condition of insufficient data. For the problems of uneven illumination and low resolution of endoscopic images, the original image is preprocessed by Sobel operator, etc. The algorithm model is implemented by Pytorch, and the preprocessed image is used as input data. The model is based on convolutional neural network for automatic classification and diagnosis of benign and malignant gastric ulcer lesions in small number of digestive endoscopy images. The accuracy, F1 score, sensitivity, specificity and precision of the Xception model improved by the residual attention module for the diagnosis of benign and malignant gastric ulcer lesions were 81.411%, 81.815%, 83.751%, 76.827% and 80.111%, respectively. The superposition of residual attention modules can effectively improve the feature learning ability of the model. The pretreatment of digestive endoscopy can remove the interference information on the digestive endoscopic image data extracted from the database, which is beneficial to the training of the model. The residual attention mechanism can effectively improve the classification effect of Xception convolutional neural network on benign and malignant lesions of gastric ulcer on common digestive endoscopic images.
Growth model analysis of wild hyacinth macaw (Anodorhynchus hyacinthinus) nestlings based on long-term monitoring in the Brazilian Pantanal
Authors: Guedes Neiva Maria Robaldo , Toledo Maria Cecília Barbosa , Fontoura Fernanda Mussi , da Silva Grace Ferreira , Donatelli Reginaldo José
Published: September 2022

Studies on the breeding of vulnerable and endangered bird species are hindered by low numbers of individuals, inaccessible location of nests, unfavourable environmental conditions, and complex behavioural patterns. In addition, intraspecific variation may emerge only following long-term, systematic observations of little-known patterns and processes. Here, data collected over 30 years were used to determine growth model of hyacinth macaw (Anodorhynchus hyacinthinus) chicks in the Pantanal biome of Brazil. During this period, the speed of growth and body mass of chicks varied widely. Four growth models were tested: logistic, Gompertz, Richards, and cubic polynomial. They were fitted using three biometric measurements: body mass, total length, and tail length. The best-fitting growth curves were identified using Akaike’s information criterion. The best models were the cubic polynomial for body mass, Richards for total length, and Gompertz for tail length. We confirmed the occurrence of dwarf individuals, whose body mass, total length, and tail length were 20%, 22%, and 70% smaller, respectively, than in the overall population. The dwarfs remain small in size after having fledged and are easily identified as adults. We discuss the importance of long-term studies to identify windows of opportunity for further research that will help in the conservation of endangered macaw species.
Enhanced and stable spin Hall conductivity in a disordered time-reversal and inversion symmetry broken topological insulator thin film
Authors: Pooyan Siamak , Hosseini Mir Vahid
Published: September 2022

We consider a disordered topological insulator thin film placed on the top of a ferromagnetic insulator with a perpendicular exchange field M and subjected to a perpendicular electric field. The presence of ferromagnetic insulator causes that bottom surface states of the topological insulator thin film become spin polarized and the electric field provides a potential difference V between the two surface states, resulting in breaking of time-reversal and inversion symmetry in the system. Using Kubo formalism and employing the first Born approximation as well as the self-consistent Born approximation, we calculate the spin Hall conductivity. We find that for small values of V, a large spin conductivity can be generated through large values of M away from the charge neutrality point. But for large values of V, the spin conductivity can be promoted even with small values of M around the charge neutrality point. The effect of vertex corrections and the stability of the obtained large spin conductivity against disorders are also examined.
Modeling and solving the parallel mixed-flow remanufacturing disassembly line balancing problem for multi-variety products
Authors: Yu Gang , Zhang Xiufen , Meng Wei
Published: September 2022

The types and numbers of components in end-of-life (EOL) products are often uncertain during remanufacturing, leading to low disassembly efficiencies for traditional remanufacturing disassembly lines. To address this problem, a parallel mixed-flow workstation layout was designed, and a novel parallel mixed remanufacturing disassembly line balancing optimization method for multi-variety products was proposed. A mixed-flow product disassembly task hierarchical assignment matrix was constructed to perform disassembly task allocations for similar components. Furthermore, a parallel mixed-flow remanufacturing disassembly line balancing (PMRDLB) optimization model was developed with the optimization objectives of minimizing the number of workstations, the disassembly line balancing rate, and the remanufacturing value indexes of the components. Furthermore, the multi-objective non-dominated genetic optimization method (NSGA-III) was improved, in which a chromosome construction method, based on the parallel mixed-flow disassembly task allocation matrix, was proposed to conduct mapping between the chromosomes and the PMRDLB model. In addition, non-dominated solution sorting was performed based on a Pareto hierarchy, which increased the searching rate of the algorithm during optimization. Finally, a case study verified the effectiveness and feasibility of the proposed method.
Impact of the cervical cancer awareness months on public interest in Japan: A Google Trends analysis, 2012–2021
Authors: Hagiya Hideharu , Koyama Toshihiro , Otsuka Fumio
Published: September 2022

The immunization and screening rates for human papillomavirus in Japan are lower than those in other countries. We aimed to evaluate the impact of cervical cancer awareness months on public attention using Google Trends analysis. Between 2012 and 2021, we analyzed the trends in relative search volumes (RSVs) for “Shikyuu-keigan” (cervical cancer in English) in Japan, during the cervical cancer awareness month (CCAM) in January and cervical cancer prevention awareness enhancement month (CCPAEM) in November. We performed a joinpoint regression analysis to identify a statistically significant trend change point. Additionally, we compared the mean RSVs of each awareness month with the rest of the year. Significant trend change points were observed, but none were found in CCAM and CCPAEM periods. Comparison of mean RSVs among CCAM, CCPAEM, and the rest of the months did not suggest any significant increases in RSVs during these awareness periods. In conclusion, CAM and CCPAEM did not raise public interest in cervical cancer in Japan. Although the results are based on internet users, the findings might suggest a need to develop a more effective and attractive approach to achieve the 90-70-90 targets of cervical cancer prevention by 2030.
Ternary metal oxide nanocomposite for room temperature H2S and SO2 gas removal in wet conditions
Authors: Gupta Nishesh Kumar , Kim Eun Ji , Baek Soyoung , Bae Jiyeol , Kim Kwang Soo
Published: September 2022

A ternary Mn–Zn–Fe oxide nanocomposite was fabricated by a one-step coprecipitation method for the remotion of H2S and SO2 gases at room temperature. The nanocomposite has ZnO, MnO2, and ferrites with a surface area of 21.03 m2 g−1. The adsorbent was effective in mineralizing acidic sulfurous gases better in wet conditions. The material exhibited a maximum H2S and SO2 removal capacity of 1.31 and 0.49 mmol g−1, respectively, in the optimized experimental conditions. The spectroscopic analyses confirmed the formation of sulfide, sulfur, and sulfite as the mineralized products of H2S. Additionally, the nanocomposite could convert SO2 to sulfate as the sole oxidation by-product. The oxidation of these toxic gases was driven by the dissolution and dissociation of gas molecules in surface adsorbed water, followed by the redox behaviour of transition metal ions in the presence of molecular oxygen and water. Thus, the study presented a potential nanocomposite adsorbent for deep desulfurization applications.
Bidirectional associations between physical activity and sleep in older adults: a multilevel analysis using polysomnography
Authors: Seol Jaehoon , Lee Jaehee , Park Insung , Tokuyama Kumpei , Fukusumi Shoji , Kokubo Toshio , Yanagisawa Masashi , Okura Tomohiro
Published: September 2022

Although recent studies have examined the bidirectional associations between physical activity and sleep parameters, few have focused on older adults utilizing objective assessments, such as polysomnography. This micro-longitudinal observational study included 92 Japanese older adults (aged 65–86 years) who underwent objective evaluations of sleep quality using polysomnography and completed subjective sleep-related questionnaires. Activity levels were assessed using an accelerometer. Polysomnography, subjective sleep-related questionnaires, and accelerometer were administered for 7 consecutive days. Multilevel models (participant-, day-level) were used to examine the temporal associations of objective and subjective sleep parameters with sedentary behavior and physical activity. In the day-level analysis, higher levels of sedentary behavior during daytime were associated with longer rapid eye movement (REM) sleep, shorter REM latency, lower levels of non-REM sleep (stage N3), and reduced delta power during daytime. Higher levels of low-intensity physical activity during daytime were associated with lower levels of REM sleep, longer REM latency, and increased stage N3 sleep in the day-level analysis. Higher levels of moderate-to-vigorous physical activity were associated with increased REM latency. Longer subjective sleep time was associated with increased next-day moderate-to-vigorous physical activity. Thus, low-intensity physical activity may provide objective benefits related to deep sleep parameters in older adults.
Increasing angiogenic efficacy of conditioned medium using light stimulation of human adipose-derived stem cells
Authors: Kim Yu-Jin , Lee Sang Ho , Im Jisoo , Song Jihun , Kim Han Young , Bhang Suk Ho
Published: September 2022

Conditioned medium (CM) contains various therapeutic molecules produced by cells. However, the low concentration of therapeutic molecules in CM is a major challenge for successful tissue regeneration. Here, we aim to develop a CM enriched in angiogenic paracrine factors for the treatment of ischemic diseases. Combining spheroidal culture and light irradiation significantly upregulates the angiogenic factor expression in human adipose-derived stem cells (hADSCs). Spheroids of light-irradiated hADSCs (SR group) show significantly enhanced expression of angiogenic paracrine factors compared with spheroids without light stimulation. Enhanced viability, migration, and angiogenesis are observed in cells treated with CM derived from the SR group. Furthermore, we performed in vivo experiments using a mouse hindlimb ischemia model; the results demonstrate that CM derived from densely cultured spheroids of light-irradiated hADSCs induced increased angiogenesis in vivo. In conclusion, our proposed approach of using light to stimulate stem cells may overcome the major drawbacks of CM-based therapies.
Widespread subclinical cellular changes revealed across a neural-epithelial-vascular complex in choroideremia using adaptive optics
Authors: Aguilera Nancy , Liu Tao , Bower Andrew J. , Li Joanne , Abouassali Sarah , Lu Rongwen , Giannini John , Pfau Maximilian , Bender Chelsea , Smelkinson Margery G. , Naik Amelia , Guan Bin , Schwartz Owen , Volkov Andrei , Dubra Alfredo , Liu Zhuolin , Hammer Daniel X. , Maric Dragan , Fariss Robert , Hufnagel Robert B. , Jeffrey Brett G. , Brooks Brian P. , Zein Wadih M. , Huryn Laryssa A. , Tam Johnny
Published: September 2022

Choroideremia is an X-linked, blinding retinal degeneration with progressive loss of photoreceptors, retinal pigment epithelial (RPE) cells, and choriocapillaris. To study the extent to which these layers are disrupted in affected males and female carriers, we performed multimodal adaptive optics imaging to better visualize the in vivo pathogenesis of choroideremia in the living human eye. We demonstrate the presence of subclinical, widespread enlarged RPE cells present in all subjects imaged. In the fovea, the last area to be affected in choroideremia, we found greater disruption to the RPE than to either the photoreceptor or choriocapillaris layers. The unexpected finding of patches of photoreceptors that were fluorescently-labeled, but structurally and functionally normal, suggests that the RPE blood barrier function may be altered in choroideremia. Finally, we introduce a strategy for detecting enlarged cells using conventional ophthalmic imaging instrumentation. These findings establish that there is subclinical polymegathism of RPE cells in choroideremia.
Observation of nonlocal Josephson effect on double InAs nanowires
Authors: Matsuo Sadashige , Lee Joon Sue , Chang Chien-Yuan , Sato Yosuke , Ueda Kento , Palmstrøm Christopher J. , Tarucha Seigo
Published: September 2022

Short-range coherent coupling of two Josephson junctions (JJs) are predicted to generate a supercurrent in one JJ nonlocally modulated by the phase difference in the other. We report on observation of the nonlocal Josephson effect on double InAs nanowires as experimental evidence of the coherent coupling. We measure one JJ sharing one superconducting electrode with the other JJ and observe switching current oscillation as a control of the nonlocal phase difference. Our result will contribute to engineer novel superconducting phenomena with the short-range coherent coupling.
Ecological resilience of restored peatlands to climate change
Authors: Loisel Julie , Gallego-Sala Angela
Published: September 2022

Degradation of peatlands through land-use change and drainage is currently responsible for 5-10% of global annual anthropogenic carbon dioxide emissions. Therefore, restoring disturbed and degraded peatlands is an emerging priority in efforts to mitigate climate change. While restoration can revive multiple ecosystem functions, including carbon storage, the resilience of restored peatlands to climate change and other disturbances remains poorly understood. Here, we review the recent literature on the response of degraded and restored peatlands to fire, drought and flood. We find that degraded sites can generally be restored in a way that allows for net carbon sequestration. However, biodiversity, hydrological regime, and peat soil structure are not always fully restored, even after a decade of restoration efforts, potentially weakening ecosystem resilience to future disturbances. As the recovery of degraded peatlands is fundamental to achieving net-zero goals and biodiversity targets, sound science and monitoring efforts are needed to further inform restoration investments and priorities.
In situ conversion of a MOG to a crystalline MOF: a case study on solvent-dependent gelation and crystallization
Authors: Garai Abhijit , Goswami Anindita , Biradha Kumar
Published: September 2022

The solvent dependent synthesis of single crystals of metal–organic frameworks via the formation of metal–organic gels at high temperature was demonstrated. These results highlight the new methodology to obtain the crystalline MOFs.
Reaction mechanism conversion induced by the contest of nucleophile and leaving group
Authors: Zhao Siwei , Fu Gang , Zhen Wenqing , Yang Li , Sun Jianmin , Zhang Jiaxu
Published: September 2022

Reaction mechanism conversion caused by competition between leaving group and nucleophile in the X− + CH3Y reactions.
Harnessing deep reinforcement learning to construct time-dependent optimal fields for quantum control dynamics
Authors: Gao Yuanqi , Wang Xian , Yu Nanpeng , Wong Bryan M.
Published: September 2022

Deep reinforcement learning can be used as an efficient artificial intelligence approach to control time-dependent quantum dynamical systems.
Molecular dynamics study of the interactions between a hydrophilic polymer brush on graphene and amino acid side chain analogues in water
Authors: Yagasaki Takuma , Matubayasi Nobuyuki
Published: September 2022

All-atom molecular dynamics simulations show that the concurrent primary and ternary adsorption mechanism for polymer brushes may be more important than previously expected when the solute is hydrophobic.
Laser desorption/ionization on nanostructured silicon: morphology matters
Authors: Dou Shuzhen , Lu Jiaxin , Wang Zhongshun , Zhu Qunyan , Chen Chunning , Lu Nan
Published: September 2022

The laser desorption/ionization performance is significantly impacted by the surface morphology of silicon because of the regulation of electron/heat transfer.
A giant enhancement in the up-conversion luminescence and high temperature sensitivity of Bi3+ doped ZnMoO4:Er3+ up-conversion phosphor
Authors: Du Shanshan , Liu Fengyun , Cao Huiying , Mi Zhihao , Huang Haihua
Published: September 2022

Luminescence intensity is a critical factor for upconversion (UC) oxides with high phonon energy.
Nanoscale gas accumulation at solid–liquid interfaces: a molecular dynamics study
Authors: Varghese Binu , Sathian Sarith P
Published: September 2022

The development of the interfacial gas enrichment layer at the solid–liquid interface is coupled with the stability of surface nanobubbles.
First-principles modeling of the highly dynamical surface structure of a MoS2 catalyst with S-vacancies
Authors: Wang Po-Yuan , Chen Bo-An , Lee Yu-Chi , Chiu Cheng-chau
Published: September 2022

Extended S-vacancy sites are not stable on MoS2 and quickly transform into a dynamic, alternating pattern consisting of S-atoms and vacancy sites.
The role of high-energy phonons in electron–phonon interaction at conducting surfaces with helium-atom scattering
Authors: Benedek G. , Manson J. R. , Miret-Artés Salvador
Published: September 2022

The Debye–Waller exponent for Helium atom specular reflection from a conducting surface, when measured as a function of temperature in the linear high-temperature regime, allows for the determination of the surface electron–phonon coupling.
A two-dimensional metallic SnB monolayer as an anode material for non-lithium-ion batteries
Authors: Kuai Yue , Chen Changcheng , Abduryim Elyas , Gao Shuli , Chen Wen , Wu Ge , Wu Liyuan , Dong Chao , Zou Weixia , Lu Pengfei
Published: September 2022

Na-, K- and Mg-ion batteries (NIBs, KIBs and MIBs) have drawn considerable interest due to their high abundance and excellent safety.
Economical gold recovery cycle from bio-sensing AuNPs: an application for nanowaste and COVID-19 testing kits
Authors: Pansare Amol V. , Pansare Shubham V. , Pansare Priyanka V. , More Bhausaheb P. , Nagarkar Amit A. , Barbezat Michel , Donde Kamini J. , Patil Vishwanath R. , Terrasi Giovanni P.
Published: September 2022

This technique to be advantageous: gold recovery from bio-waste of COVID-19 & similar kits. Forensic investigations, gold jewelry makers & related industries to benefit from the proposed gold recycling process & contribute to socio-economic growth.
Tropylium tetrafluoroborate promoted hydroboration of nitriles, imines and amides
Authors: Doan Son Hoai , Nguyen Thanh Vinh
Published: September 2022

A new organocatalytic approach to reduce nitriles, imines or amides with pinacolborane to amines is reported.
Proteomic changes associated with racial background and sepsis survival outcomes
Authors: Kapp Kathryn L. , Arul Albert B. , Zhang Kevin C. , Du Liping , Yende Sachin , Kellum John A. , Angus Derek C. , Peck-Palmer Octavia M. , Robinson Renã A. S.
Published: September 2022

Plasma proteomics identified proteins in various immune pathways that may contribute to racial/ethnic disparities in sepsis survival outcomes.
A phosphoric anion layer inhibits electronic current generation and nanotube growth during anodization of titanium
Authors: Zhao Ziyu , Wang Shiyi , Zhang Jiazheng , Liu Lin , Jiang Longfei , Xu Xiangyue , Song Ye
Published: September 2022

Nowadays the formation mechanism of anodic TiO2 nanotubes has attracted extensive attention.
Mapping the relationship between total and functional antibodies conjugated to nanoparticles with spectrally-resolved direct stochastic optical reconstruction microscopy (SR-dSTORM)
Authors: Archontakis Emmanouil , Woythe Laura , van Hoof Bas , Albertazzi Lorenzo
Published: September 2022

Spectrally-resolved super-resolution microscopy is used to to quantify the relationship between total and functional antibodies on NPs at the single particle level.
SERS spectral evolution of azo-reactions mediated by plasmonic Au@Ag core–shell nanorods
Authors: Hu Mengen , Huang Zhulin , Liu Rui , Zhou Ningning , Tang Haibin , Meng Guowen
Published: September 2022

Plasmon-driven photocatalytic effects generate azo reactions.
Pt nanoparticles under oxidizing conditions – implications of particle size, adsorption sites and oxygen coverage on stability
Authors: Yohannes Asfaw G. , Fink Karin , Kondov Ivan
Published: September 2022

Oxygen adsorption and oxide formation on platinum nanoparticles are investigated at different temperatures and pressures employing density functional theory and a thermodynamics-based approach.
A novel heterometallic platinum(ii)–silver(i) alkynyl complex [PtAg(dppm)2(CCC6H4COOCH3-4)2Cl] with two crystal morphologies exhibiting morphology-dependent photoluminescence
Authors: Wei Qiao-Hua , Zhang Si-Qi , Ma Xian-Jian , Huang Zheng-Zhao , Wang Bin
Published: September 2022

A novel complex [PtAg(dppm)2(CCC6H4COOCH3-4)2Cl] with two crystal morphologies as rod-like and prism was separately obtained by manipulating the recrystallization solvents. They exhibit glamorous morphology-dependent photoluminescence.
Alkaline steaming-assisted conversion: a new strategy for the synthesis of pure NiFe2O4 and CoFe2O4 spinel ferrite nanoparticles
Authors: Li Hua , Brüning Ralf , Liang Jian , Jiang Weihui , Robichaud Jacques , Liu Jianmin , Tang Zijuan , Djaoued Yahia
Published: September 2022

A new strategy, the ‘alkaline steaming-assisted conversion route,’ has been developed to synthesize pure NiFe2O4 and CoFe2O4 nanoparticles by using ethylenediamine, together with ammonia, collectively as the alkaline steaming vapor.
Insight into the adsorption properties of a β-cyclodextrin/phillipsite organophilic composite for effective removal of toxic organophosphorus pesticides: kinetic and advanced equilibrium studies
Authors: Othman Sarah I. , Alqhtani Haifa A. , Allam Ahmed A. , Rabie Abdelrahman M. , Abdelrahman Asmaa A. , Salem Heba M. , Abukhadra Mostafa R.
Published: September 2022

β-Cyclodextrin/phillipsite was used in the uptake of three pesticides from water achieving Qsat values of 360 mg g−1 (MPn), 321.6 mg g−1 (OM), and 434.5 mg g−1 (AC). The uptake energies suggested endothermic physisorption reactions.
Bis[squaramido]ferrocenes as electrochemical sulfate receptors
Authors: Lane Jakob D. E. , Greenwood William J. H. , Day Victor W. , Jolliffe Katrina A. , Bowman-James Kristin , Adriaenssens Louis
Published: September 2022

The bis[squaramido]ferrocene scaffold is introduced and shown to selectively bind and electrochemically report sulfate in competitive water/DMSO mixtures.
Pr3+ doped NaYF4 and LiYF4 nanocrystals combining visible-to-UVC upconversion and NIR-to-NIR-II downconversion luminescence emissions for biomedical applications
Authors: Tsang Min Ying , Fałat Patryk , Antoniak Magda A. , Ziniuk Roman , Zelewski Szymon J. , Samoć Marek , Nyk Marcin , Qu Junle , Ohulchanskyy Tymish Y. , Wawrzyńczyk Dominika
Published: September 2022

NaYF4 and LiYF4 nanoparticles co-doped with Pr3+ and Yb3+ are reported, manifesting 980 nm excited downconversion luminescence peaked at 1320 nm for NIR-II bioimaging and 447 nm excited upconversion luminescence at 275 nm for germicide action.
Metal-free photosensitized intermolecular carboimination of alkenes: a green and direct access to both β-amino acids and β-amino ketones
Authors: Zhao Xingda , Zhang Cairong , Zhang Hengyue , Zheng Xiaolan , Liang Jiayu , Liang Qianqian , Lin Weilong
Published: September 2022

A metal-free intermolecular carboimination of alkenes has been developed, providing general access to both β-amino acids and ketones.
Delicate fabrication of ZnO/ZnCo2O4heterojunction HoMSs as anodes for lithium-ion batteries with high rate capability
Authors: Zhang Hui , Zhou Xin , Liu Yahui , Hou Baoxiu , Ma Linlin , Liu Yuan , Liu Haiyan , Zhang Shuaihua , Ao Zhimin , Song Jianjun , Wang Jiangyan , Zhao Xiaoxian
Published: September 2022

The high specific capacity of metal oxides cannot cover up their low electron and ion diffusion rate and large volume expansion as anodes of lithium-ion batteries.
Cu(i)- and Pd(ii)-catalyzed decarboxylative cross-couplings of alkynyl carboxylic acids with N-tosylhydrazones: access to trisubstituted allenes and conjugated enynes
Authors: Yuan Hairui , Wang Jianbo
Published: September 2022

This paper reports the copper- and palladium-catalyzed decarboxylative cross-coupling reactions of alkynyl carboxylic acids and N-tosylhydrazones, affording trisubstituted allenes and conjugated enynes, respectively.
Structural and compositional properties of 2D CH3NH3PbI3 hybrid halide perovskite: a DFT study
Authors: Kumavat Sandip R. , Sachdeva Geeta , Sonvane Yogesh , Gupta Sanjeev K.
Published: September 2022

We have studied 2D CH3NH3PbI3 and its multilayer halide perovskites. These systems have a high formation energy. The optical properties absorption spectra lie between 248 nm to 496 nm with an absorption coefficient of about 105 cm−1.
RHPS4 shifted the conformation ensemble equilibrium of Tel24 by preferentially stabilizing the (3 + 1) hybrid-2 conformation
Authors: Wang Zhangqian , Deng Jieya , Umer Muhammad , Anwar Naureen , Wang Yidang , Dong XingXing , Xu Hua , He Yi , Gao Chao
Published: September 2022

Tel24 G-quadruplex can form a conformational ensemble consisting of parallel and (3 + 1) hybrid-2 conformations. RHPS4 preferentially stabilized the hybrid-2 conformation and shifted the conformational ensemble equilibrium.
Template and interfacial reaction engaged synthesis of CeMnOx hollow nanospheres and their performance for toluene oxidation
Authors: Zheng Yuhua , Zhou Jing , Zeng Xi , Hu Dandan , Wang Fang , Cui Yanbin
Published: September 2022

CeMnOx hollow spheres with uniform morphology were prepared and showed better catalytic activity for toluene oxidation than CeO2.
Understanding covalent bonding – a scan across the Croatian education system
Authors: Vladusic R. , Bucat R. B. , Ozic M.
Published: September 2022

This article reports on a study of understanding of key sub-topics of the curricular model of covalent bonding among participants at all levels of the chemical education system in Croatia, including among secondary school students, university students (some of whom are pre-service teachers), and secondary school chemistry teachers. The diagnostic instrument, specially designed for that purpose, was a three-tiered conceptual test. It was administered to 739 high school students, 284 university science students, and 62 secondary chemistry teachers. The study focuses on the sub-topics of bond polarity, molecular polarity, the octet rule, shapes of molecules, intermolecular forces and covalent networks. The aim is to investigate (a) the extent to which the understanding of participants from each group corresponds to curricular models, (b) which deficits in understanding can be classified as misconceptions, and which are due to lack of knowledge, and (c) the misconceptions exhibited by the participants in each category. The results highlight many cases of lack of correspondence between participants’ knowledge and scientifically accepted models, especially among students. Serious misconceptions, even among teachers, were found in each sub-topic area. Many students demonstrated lack of knowledge of concepts (rather than misconceptions). The results underline the need for better understanding of the teaching and learning demands of the six sub-topics of covalent bonding at all levels of the educational system in Croatia. Special attention needs to be paid to the sub-topics shapes of molecules and molecular polarity. This scan of understanding across the Croatian educational system, showing extensive lack of understanding of fundamental chemistry topics, reveals serious systemic problems. These findings are a call to chemistry teachers, curriculum developers and education administrators to take action in all domains and realms of pedagogical content knowledge (PCK) related to covalent bonding.
Chemistry must respond to the crisis of transgression of planetary boundaries
Authors: Matlin Stephen A. , Cornell Sarah E. , Krief Alain , Hopf Henning , Mehta Goverdhan
Published: September 2022

Chemistry, the science of transformation of matter, is fundamental to achieving sustainability through ensuring biogeochemical flows do not transgress planetary boundaries. This requires urgent changes in chemistry education, research and industry.
Nanomaterial-based surface-enhanced Raman scattering spectroscopy for sensing and diagnostics of gas molecules in environment and healthcare
Authors: Prakash Jai , de Oliveira Paulo Roberto , Swart H. C. , Rumyantseva Marina , Packirisamy M. , Janegitz Bruno C. , Li Xiaogan
Published: September 2022

The detection and identification of molecular traces in the environment as well as in the human breath are very significant for the development of a healthy society.
Solid oxide fuel cells for ammonia synthesis and energy conversion
Authors: Goldstein Valentina , Rath Manasa Kumar , Kossenko Alexey , Litvak Natali , Kalashnikov Alexander , Zinigrad Michael
Published: September 2022

NH3 is synthesized via EPOC in SOFC. Thus, electricity and ammonia can be simultaneously generated by supplying fuel and humidified air. The highest rate of ammonia, 8.6 × 10-9 mol cm−2 s−1, is achieved with CH4 and air with 14% H2O at 730 °C.
Electrochemical ammonia synthesisvianitrate reduction on perovskite LaxFeO3−δwith enhanced efficiency by oxygen vacancy engineering
Authors: Yin Qi , Hu Shihao , Liu Jingwen , Zhou Hao
Published: September 2022

The oxygen vacancy-rich perovskite La0.9FeO3−δwas employed as an electrocatalyst to reduce nitrate to ammonia and obtained the highest NH3yield of 1024.8 μg h−1cm−2at −1.0 V (vs.RHE) and a faradaic efficiency of 78.1% at −0.8 V (vs.RHE).
Direct ink writing of tough, stretchable silicone composites
Authors: Mo Chengyang , Yin Rui , Raney Jordan R.
Published: September 2022

In this work, we report 3D printable soft composites that are simultaneously stretchable and tough.
Co-ordinated control of the ADP-heptose/ALPK1 signalling network by the E3 ligases TRAF6, TRAF2/c-IAP1 and LUBAC
Authors: Snelling Tom , Shpiro Natalia , Gourlay Robert , Lamoliatte Frederic , Cohen Philip
Published: September 2022

ADP-heptose activates the protein kinase ALPK1 triggering TIFA phosphorylation at Thr9, the recruitment of TRAF6 and the subsequent production of inflammatory mediators. Here, we demonstrate that ADP-heptose also stimulates the formation of Lys63- and Met1-linked ubiquitin chains to activate the TAK1 and canonical IKK complexes, respectively. We further show that the E3 ligases TRAF6 and c-IAP1 operate redundantly to generate the Lys63-linked ubiquitin chains required for pathway activation, which we demonstrate are attached to TRAF6, TRAF2 and c-IAP1, and that c-IAP1 is recruited to TIFA by TRAF2. ADP-heptose also induces activation of the kinase TBK1 by a TAK1-independent mechanism, which require TRAF2 and TRAF6. We establish that ALPK1 phosphorylates TIFA directly at Thr177 as well as Thr9 in vitro. Thr177 is located within the TRAF6-binding motif and its mutation to Asp prevents TRAF6 but not TRAF2 binding, indicating a role in restricting ADP-heptose signalling. We conclude that ADP-heptose signalling is controlled by the combined actions of TRAF2/c-IAP1 and TRAF6.
An approximate evaluation method for neighbourhood solutions in job shop scheduling problem
Authors: Gui Lin , Li Xinyu , Gao Liang , Xie Jin
Published: September 2022

Job shop scheduling problem is a classical scheduling problem, and it is very difficult to work out. To solve it well, the meta‐heuristic algorithm is a good choice, and the evaluation method of neighbourhood solutions, which affects the efficiency of the algorithm and the quality of the solution, is one of the keys in the algorithm. We propose an approximate evaluation method by exploring domain knowledge in neighbourhood solutions. Firstly, we reduce the computational time of the evaluation by analysing the unnecessary computational operations. Secondly, according to the domain knowledge, we prove that the evaluated value of the neighbourhood solution is the exact value under certain conditions. At the same time, a set of critical parameters are calculated to correct the estimated value of the neighbourhood solutions that do not meet the conditions to improve the evaluation accuracy. With all of these, an approximate evaluation method for neighbourhood solutions in job shop scheduling problems is proposed. The experiments on different numerical instances show the superiority of the method proposed.
Optimum design of the long‐span continuous steel truss rail beams of straddle monorails
Authors: Yin Zhongya , Wang Jianping , Wang TianYang , Zhu DongJin
Published: September 2022

To understand the influences of beam height and side‐to‐midspan ratio on the mechanical characteristics of straddle monorail large‐span continuous steel truss rail beams, the first phase of Wuhu Rail Transit Line 2, a section of continuous steel truss rail beams, is taken as the engineering background. The specific numerical values of the beam heights and side‐to‐midspan ratios of some large‐span bridges, which have been built in China and abroad, are analyzed and counted. Combined with the unique characteristics of continuous steel truss rail beams, the two design variables of side‐to‐midspan ratio and beam height are scientifically valued. The two‐variable direct grid search method is used, and the finite element software Midas Civil is employed to calculate and analyze the mechanical properties of the selected structural system. The main beam deflection, vertical fundamental frequency, beam end corner, and six other aspects are taken as the research focus of the optimization analysis. The above six aspects coordinate bridge strength, stiffness, and stability. They also consider comprehensively and enhance the scientificity of the results. Data indicate that when the side‐to‐midspan ratio and beam height are small, it is beneficial to the structural stress and deformation. However, to prevent the occurrence of the reaction force of the support, the side‐to‐midspan ratio should be greater than 0.2; when the beam height is constant, the ratio increases from 0.56 to 0.74, and the safety factor increases by about 14%. The side‐to‐midspan ratio of 0.56 and the beam height of 1.86 m are the recommended solutions. The scheme features reasonable structural stress and deformation, material saving, and low cost.