bluuebunny/crossref_metadata_2025 huggingface dataset:
Relaxation of a dense ensemble of spins in diamond under a continuous microwave driving field
Authors: Chen Jeson , Chen Oliver Y. , Chang Huan-Cheng
Published: August 2021

Decoherence of Rabi oscillation in a two-level quantum system consists of two components, a simple exponential decay and a damped oscillation. In dense-ensemble spin systems like negatively charged nitrogen-vacancy (NV−) centers in diamond, fast quantum state decoherence often obscures clear observation of the Rabi nutation. On the other hand, the simple exponential decay (or baseline decay) of the oscillation in such spin systems can be readily detected but has not been thoroughly explored in the past. This study investigates in depth the baseline decay of dense spin ensembles in diamond under continuously driving microwave (MW). It is found that the baseline decay times of NV− spins decrease with the increasing MW field strength and the MW detuning dependence of the decay times shows a Lorentzian-like spectrum. The experimental findings are in good agreement with simulations based on the Bloch formalism for a simple two-level system in the low MW power region after taking into account the effect of inhomogeneous broadening. This combined investigation provides new insight into fundamental spin relaxation processes under continuous driving electromagnetic fields and paves ways to better understanding of this underexplored phenomena using single NV− centers, which have shown promising applications in quantum computing and quantum metrology.
Taxonomic profiling of skin microbiome and correlation with clinical skin parameters in healthy Koreans
Authors: Kim Ji-Hee , Son Sang-Mo , Park Hyunjoon , Kim Byoung Kook , Choi In Suk , Kim Heebal , Huh Chul Sung
Published: August 2021

The interest in skin microbiome differences by ethnicity, age, and gender is increasing. Compared to other ethnic groups, studies on the skin microbiome of Koreans remains insufficient; we investigated facial skin microbiome characteristics according to gender and age among Koreans. Fifty-one healthy participants were recruited, the facial skin characteristics of each donor were investigated, their skin bacterial DNA was isolated and metagenomic analysis was performed. The donors were divided into two groups for age and sex each to analyze their skin microbiomes. Moreover, we investigated the correlation between the skin microbiome and clinical characteristics. The alpha diversity of the skin microbiome was significantly higher in the elderly, and beta diversity was significantly different according to age. The comparative skin microbials showed that the genus Lawsonella was more abundant in the younger age group, and Enhydrobacter was predominant in the older age group. Staphylococcus and Corynebacterium were more abundant in males, while Lactobacillus was more abundant in females. Lawsonella had a negative correlation with skin moisture and brown spots. Staphylococcus and Corynebacterium both had negative correlations with the number of UV spots and positive correlations with transepidermal water loss (TEWL). Furthermore, Staphylococcus aureus had a negative correlation with skin moisture parameters.
Qualitative and quantitative analyses of polysomnographic measurements in foals
Authors: Zanker Antonia , Wöhr Anna-Caroline , Reese Sven , Erhard Michael
Published: August 2021

Veterinary and human medicine are still seeking a conclusive explanation of the function of sleep, including the change in sleep behaviour over the course of an individual’s lifetime. In human medicine, sleep disorders and abnormalities in the electroencephalogram are used for prognostic statements, therapeutic means and diagnoses. To facilitate such use in foal medicine, we monitored 10 foals polysomnographically for 48 h. Via 10 attached cup electrodes, brain waves were recorded by electroencephalography, eye movements by electrooculography and muscle activity by electromyography. Wireless polysomnographs allowed us to measure the foals in their home stables. In addition, each foal was simultaneously monitored with infrared video cameras. By combining the recorded data, we determined the time budgeting of the foals over 48 h, whereby the states of vigilance were divided into wakefulness, light sleep, slow-wave sleep and rapid-eye-movement sleep, and the body positions into standing, suckling, sternal recumbency and lateral recumbency. The results of the qualitative analyses showed that the brain waves of the foals differ in their morphology from those previously reported for adult horses. The quantitative data analyses revealed that foals suckle throughout all periods of the day, including night-time. The results of our combined measurements allow optimizing the daily schedule of the foals according to their sleep and activity times. We recommend that stall rest should begin no later than 9.00 p.m. and daily stable work should be done in the late afternoon.
Cortical thickness, gyrification and sulcal depth in trigeminal neuralgia
Authors: Li Meng , Yan Jianhao , Wen Hua , Lin Jinzhi , Liang Lianbao , Li Shumei , Xie Shuangcong , Li Wuming , Lin Chulan , Jiang Guihua
Published: August 2021

Neuroimaging studies have documented brain structural alterations induced by chronic pain, particularly in gray matter volume. However, the effects of trigeminal neuralgia (TN), a severe paroxysmal pain disorder, on cortical morphology are not yet known. In this study, we recruited 30 TN patients and 30 age-, and gender-matched healthy controls (HCs). Using Computational Anatomy Toolbox (CAT12), we calculated and compared group differences in cortical thickness, gyrification, and sulcal depth with two-sample t tests (p < 0.05, multiple comparison corrected). Relationships between altered cortical characteristics and pain intensity were investigated with correlation analysis. Compared to HCs, TN patients exhibited significantly decreased cortical thickness in the left inferior frontal, and left medial orbitofrontal cortex; decreased gyrification in the left superior frontal cortex; and decreased sulcal depth in the bilateral superior frontal (extending to anterior cingulate) cortex. In addition, we found significantly negative correlations between the mean cortical thickness in left medial orbitofrontal cortex and pain intensity, and between the mean gyrification in left superior frontal cortex and pain intensity. Chronic pain may be associated with abnormal cortical thickness, gyrification and sulcal depth in trigeminal neuralgia. These morphological changes might contribute to understand the underlying neurobiological mechanism of trigeminal neuralgia.
The impact of land use and rainfall patterns on the soil loss of the hillslope
Authors: Meng Xianmeng , Zhu Yan , Yin Maosheng , Liu Dengfeng
Published: August 2021

In order to discuss the effect of rainfall patterns and land use types on soil erosion, the experiment is carried out under natural rainfall events on different kinds of runoff plots in Zhangjiachong watershed. Based on the observed data of 44 individual rainfall events including moderate, heavy and storm rainfall, the differences of erosion modulus among hedgerows plots, terrace plots, and slope plots under different rainfall patterns are analyzed. And the effects of hedgerow and terrace patterns on control of soil loss are revealed by RUSLE. Wilcoxon signed rank test is applied to analyze the significant difference of erosion modulus in different plots and the coefficient of variation is used to compare the characteristics of erosion modulus under different rainfall patterns. The results show that the soil erosion modulus of earth banked terrace has the highest value and the lowest soil erosion modulus occurs in the slope land with hedgerows. The coefficients of variation for soil erosion modulus under heavy and storm rainfall are larger than that of moderate rainfall. Hedgerow pattern can effectively control soil erosion under moderate and heavy rainfall while the effect of hedgerow is considerably weakened under storm rainfall. Earth banked terraces own the highest erosion modulus followed by slope land and stone dike terraces.
A computational study of cooperative binding to multiple SARS-CoV-2 proteins
Authors: Li Jianing , McKay Kyle T. , Remington Jacob M. , Schneebeli Severin T.
Published: August 2021

Structure-based drug design targeting the SARS-CoV-2 virus has been greatly facilitated by available virus-related protein structures. However, there is an urgent need for effective, safe small-molecule drugs to control the spread of the virus and variants. While many efforts are devoted to searching for compounds that selectively target individual proteins, we investigated the potential interactions between eight proteins related to SARS-CoV-2 and more than 600 compounds from a traditional Chinese medicine which has proven effective at treating the viral infection. Our original ensemble docking and cooperative docking approaches, followed by a total of over 16-micorsecond molecular simulations, have identified at least 9 compounds that may generally bind to key SARS-CoV-2 proteins. Further, we found evidence that some of these compounds can simultaneously bind to the same target, potentially leading to cooperative inhibition to SARS-CoV-2 proteins like the Spike protein and the RNA-dependent RNA polymerase. These results not only present a useful computational methodology to systematically assess the anti-viral potential of small molecules, but also point out a new avenue to seek cooperative compounds toward cocktail therapeutics to target more SARS-CoV-2-related proteins.
Metformin attenuates renal tubulointerstitial fibrosis via upgrading autophagy in the early stage of diabetic nephropathy
Authors: Wang Fengzhen , Sun Haihan , Zuo Bangjie , Shi Kun , Zhang Xin , Zhang Chi , Sun Dong
Published: August 2021

This study aimed at comparing the effects of metformin on tubulointerstitial fibrosis (TIF) in different stages of diabetic nephropathy (DN) in vivo and evaluating the mechanism in high glucose (HG)-treated renal tubular epithelial cells (RTECs) in vitro. Sprague–Dawley (SD) rats were used to establish a model of DN, and the changes of biochemical indicators and body weight were measured. The degree of renal fibrosis was quantified using histological analysis, immunohistochemistry, and immunoblot. The underlying relationship between autophagy and DN, and the cellular regulatory mechanism of metformin on epithelial-to-mesenchymal transition (EMT) were investigated. Metformin markedly improved renal function and histological restoration of renal tissues, especially in the early stages of DN, with a significant increase in autophagy and a decrease in the expression of fibrotic biomarkers (fibronectin and collagen I) in renal tissue. Under hyperglycemic conditions, renal tubular epithelial cells inactivated p-AMPK and activated partial EMT. Metformin-induced AMPK significantly ameliorated renal autophagic function, inhibited the partial EMT of RTECs, and attenuated TIF, all of which effectively prevented or delayed the onset of DN. This evidence provides theoretical and experimental basis for the following research on the potential clinical application of metformin in the treatment of diabetic TIF.
Characterization of Mariner transposons in seven species of Rhus gall aphids
Authors: Ahmad Aftab , Wallau Gabriel Luz , Ren Zhumei
Published: August 2021

Transposable elements (TEs), also known as jumping genes, are widely spread in the genomes of insects and play a considerable role in genomic evolution. Mariner/DD34D family belongs to class II transposable elements which is widely spread in the genomes of insects and have considerable role in genomic evolution. Mariner like elements (MLEs) were searched in the genomes of seven species of Rhus gall aphids belonging to six genera. In total, 121 MLEs were detected in the genomes of the seven investigated species of Rhus gall aphids, which showed a wide distribution in both close and distant related species. The sequences of MLEs ranged from 1 to 1.4 kb in length and the structural analysis of the MLEs showed that only five copies were potentially active with intact open reading frame (ORF) and terminal inverted repeats (TIRs). Phylogenetic analysis showed that all the 121 MLE sequences belonged to four subfamilies, i.e., Mauritiana, Drosophila, Vertumana and Irritans, among which Drosophila and Vertumana subfamilies were reported in aphids for the first time. Our present report revealed the diversity and distribution of MLEs in Rhus gall aphid genomes and expanded our understandings on the characterization of transposable elements in aphid genomes, which might be useful as genetic markers and tools and would play an important role in genomic evolution and adaptation of aphids.
Vitamin D3 administration prevents memory deficit and alteration of biochemical parameters induced by unpredictable chronic mild stress in rats
Authors: Bakhtiari-Dovvombaygi Hossein , Izadi Saeed , Zare Mostafa , Asgari Hassanlouei Elham , Dinpanah Hossein , Ahmadi-Soleimani S. Mohammad , Beheshti Farimah
Published: August 2021

The present study aimed to investigate the effects of vitamin D3 (Vit D) administration on memory function, hippocampal level of amyloid-beta (Aβ), brain-derived neurotrophic factor (BDNF) and oxidative stress status in a rat model of unpredictable chronic mild stress (UCMS). Vit D was intraperitoneally administered at doses of 100, 1000, and 10,000 IU/kg. Animals were subjected to UCMS for a total period of 4 weeks. Memory function was assessed using morris water maze (MWM) and passive avoidance (PA) tests. Biochemical markers were measured to reveal the status of oxidative stress and antioxidant defense system. In addition, the levels of Aβ and BDNF were measured in hippocampal region. In the UCMS group, latency to find the platform was greater and the time spent in target quadrant (MWM test) as well as the latency to enter the dark compartment (PA test), were less than the vehicle group. Hippocampal malondialdehyde (MDA) and Aβ concentrations in the UCMS group were higher than the vehicle group. Hippocampal level of thiol and BDNF plus the activities of catalase and superoxide dismutase (SOD) were reduced in UCMS group compared to the control subjects (i.e. vehicle group). Interestingly, Vit D treatment supplementation reversed the mentioned effects of UCMS. Our findings indicated that Vit D administration improves UCMS-induced impairment of learning and memory through prevention of adverse effects on Aβ, BDNF and oxidative stress parameters.
Modelling and numerical computation for flow of micropolar fluid towards an exponential curved surface: a Keller box method
Authors: Shi Qiu-Hong , Shabbir Tayyaba , Mushtaq M. , Khan M. Ijaz , Shah Zahir , Kumam Poom
Published: August 2021

The numerical analysis of MHD boundary layer non-Newtonian micropolar fluid due to an exponentially curved stretching sheet is developed in this study. In the energy equation effects of viscous dissipation are included. For the mathematical description of the governing equations curvilinear coordinates are used. By utilizing exponential similarity variables, the modelled partial differential equations (PDEs) are reduced into ordinary ones. The resultant non-linear ODEs are numerically solved with two methods shooting and Keller box method. The study reveals that the governing parameters, namely, radius of curvature, material parameter, magnetic parameter, Prandtl number and Eckert number have major effects on the fluid velocity, micro-rotation velocity, surface friction, couple stress and heat transfer rate. The results indicate that the magnetic field diminishes the fluid velocity inside the hydrodynamics boundary layer whereas it enhances the temperature inside the thermal boundary layer. Microrotation profile decreases near the surface, as the magnetic parameter and radius of curvature increases but far away behavior is opposite. The material parameter enhances the velocity and microrotation profile whereas, opposite behaviors is noticed for the temperature distribution. Obtained outcomes are also compared with the existing literature and the comparison shows a good agreement with existing studies.
Neurodevelopmental outcome of preterm very low birth weight infants admitted to an Italian tertiary center over an 11-year period
Authors: Longo Stefania , Caporali Camilla , Pisoni Camilla , Borghesi Alessandro , Perotti Gianfranco , Tritto Giovanna , Olivieri Ivana , La Piana Roberta , Tonduti Davide , Decio Alice , Ariaudo Giada , Spairani Silvia , Naboni Cecilia , Gardella Barbara , Spinillo Arsenio , Manzoni Federica , Tinelli Carmine , Stronati Mauro , Orcesi Simona
Published: August 2021

Preterm very low birth weight infants (VLBWi) are known to be at greater risk of adverse neurodevelopmental outcome. Identifying early factors associated with outcome is essential in order to refer patients for early intervention. Few studies have investigated neurodevelopmental outcome in Italian VLBWi. The aim of our longitudinal study is to describe neurodevelopmental outcome at 24 months of corrected age in an eleven-year cohort of 502 Italian preterm VLBWi and to identify associations with outcome. At 24 months, Griffiths’ Mental Developmental Scales were administered. Neurodevelopmental outcome was classified as: normal, minor sequelae (minor neurological signs, General Quotient between 76 and 87), major sequelae (cerebral palsy; General Quotient ≤ 75; severe sensory impairment). 75.3% showed a normal outcome, 13.9% minor sequelae and 10.8% major sequelae (3.8% cerebral palsy). Male gender, bronchopulmonary dysplasia, abnormal neonatal neurological assessment and severe brain ultrasound abnormalities were independently associated with poor outcome on multivariate ordered logistic regression. Rates of major sequelae are in line with international studies, as is the prevalence of developmental delay over cerebral palsy. Analysis of perinatal complications and the combination of close cUS monitoring and neurological assessment are still essential for early identification of infants with adverse outcome.
Serum glial fibrillary acidic protein and S100 calcium-binding protein B correlates cerebral vessel reactivity following carotid artery stenting
Authors: Yuan Xiaofan , Guo Lei , Wang Jianhong , Wang Duozi , Yang Shu , Guo Fuqiang
Published: August 2021

Using detection markers in serum has the advantages of simplicity, repeatability and the capability. This study combined the use of serum glial fibrillary acidic protein (GFAP) and S100B protein (S100B) with imaging tools to confirm the role of serum biomarkers in evaluating the cerebral vessel reactivity after carotid artery stenting (CAS). After CAS, the serum concentrations of GFAP and S100B increased to the peak at 24 h after operation, and then gradually decreased. The mean flow velocity (MFV) (pre-operation, post-operation, 30 days follow-up: 47.65 ± 17.24 cm/s, 62.37 ± 18.25 cm/s, 70.29 ± 16.89 cm/s; P < 0.05) and pulsatility index (PI) (pre-operation, post-operation, 30 days follow-up: 0.78 ± 0.21, 0.98 ± 0.19, 1.02 ± 0.20; P < 0.05) increased significantly in the ipsilateral middle cerebral artery after CAS. At the 30-day follow-up, the cerebrovascular reserve (CVR) (post-operation, 30 days follow-up: 27.47 ± 12.13 cm/s, 31.92 ± 10.94 cm/s; P < 0.05) improved significantly. In patients with different degrees of stenosis, the more severe the stenosis in the carotid artery, the more obvious the improvement of CVR at the 30 days of follow-up (CVR changes: 11.08 ± 7.95 cm/s, Kendall’s tau-b = 0.645, P < 0.001). And the serum concentrations of GFAP (r = − 0.629, P < 0.0001) and S100B (r = − 0.604, P < 0.0001) correlated negatively with CVR at 30 days after CAS. Therefore, we recommend using the biomarkers GFAP and S100B associated with imaging tools such as transcranial Doppler (TCD) and Magnetic resonance imaging (MRI) to evaluate the cerebral vessel reactivity following CAS.
ATF6 is required for efficient rhodopsin clearance and retinal homeostasis in the P23H rho retinitis pigmentosa mouse model
Authors: Lee Eun-Jin , Chan Priscilla , Chea Leon , Kim Kyle , Kaufman Randal J. , Lin Jonathan H.
Published: August 2021

Retinitis Pigmentosa (RP) is a blinding disease that arises from loss of rods and subsequently cones. The P23H rhodopsin knock-in (P23H-KI) mouse develops retinal degeneration that mirrors RP phenotype in patients carrying the orthologous variant. Previously, we found that the P23H rhodopsin protein was degraded in P23H-KI retinas, and the Unfolded Protein Response (UPR) promoted P23H rhodopsin degradation in heterologous cells in vitro. Here, we investigated the role of a UPR regulator gene, activating transcription factor 6 (Atf6), in rhodopsin protein homeostasis in heterozygous P23H rhodopsin (Rho+/P23H) mice. Significantly increased rhodopsin protein levels were found in Atf6−/−Rho+/P23H retinas compared to Atf6+/−Rho+/P23H retinas at early ages (~ P12), while rhodopsin mRNA levels were not different. The IRE1 pathway of the UPR was hyper-activated in young Atf6−/−Rho+/P23H retinas, and photoreceptor layer thickness was unchanged at this early age in Rho+/P23H mice lacking Atf6. By contrast, older Atf6−/−Rho+/P23H mice developed significantly increased retinal degeneration in comparison to Atf6+/−Rho+/P23H mice in all retinal layers, accompanied by reduced rhodopsin protein levels. Our findings demonstrate that Atf6 is required for efficient clearance of rhodopsin protein in rod photoreceptors expressing P23H rhodopsin, and that loss of Atf6 ultimately accelerates retinal degeneration in P23H-KI mice.
Chronic choriocapillaris ischemia in dilated vortex vein region in pachychoroid neovasculopathy
Authors: Matsumoto Hidetaka , Hoshino Junki , Mukai Ryo , Nakamura Kosuke , Kishi Shoji , Akiyama Hideo
Published: August 2021

We evaluated choroidal congestion using multimodal imaging in pachychoroid neovasculopathy (PNV). In a retrospective case series of 100 eyes of 99 treatment-naïve PNV patients, their clinical records were reviewed and the corresponding multimodal imaging studies were analyzed. We assessed areas of choriocapillaris filling delay which overlapped with dilated outer choroidal vessels, choroidal neovascularization (CNV), and retinal pigment epithelium (RPE) atrophy. The study subjects were 78 men (78.8%) and 21 women (21.2%). The mean patient age was 67.5 ± 10.5 years. On indocyanine green angiography, all eyes showed choriocapillaris filling delay in the early phase. Dilated outer choroidal vessels were demonstrated in all eyes by en face optical coherence tomography. The areas of choriocapillaris filling delay overlapped extensively with that of dilated outer choroidal vessels. All eyes showed CNV localized within the sites of choriocapillaris filling delay. RPE atrophy was noted in 71 eyes (71.0%), and 68 of these (95.8%) had RPE atrophy within the areas showing choriocapillaris filling delay. These findings indicate that chronic choriocapillaris ischemia secondary to vortex vein congestion may lead to CNV development as well as RPE atrophy in eyes with PNV.
Environmental risk evaluation of overseas mining investment based on game theory and an extension matter element model
Authors: He Hujun , Xing Rui , Han Ke , Yang Junjie
Published: August 2021

Taking into account the limitations of the single weighting method presently used for the environmental risk evaluation of overseas mining investment, an improved extension evaluation method based on game theory was developed. The method was then applied to real data from the Philippines and used to establish the congener element object and classical domain of the environmental risk of mining investment in the Philippines, based on extension matter element theory. The optimal index weights, based on a balance of subjective and objective results, were obtained from game theory, the analytic hierarchy process, and entropy weight theory. This enabled calculation of the association function values of evaluation indexes in the Philippines and the environmental risk level of overseas mining investment. Finally, given the weighting and association function values, the environmental risk level of mining investment in the Philippines was determined to be level II (higher risk). These results show that the proposed model is effective for evaluating the environmental risk of overseas mining investment.
Harnessing electronic health records to study emerging environmental disasters: a proof of concept with perfluoroalkyl substances (PFAS)
Authors: Boland Mary Regina , Davidson Lena M. , Canelón Silvia P. , Meeker Jessica , Penning Trevor , Holmes John H. , Moore Jason H.
Published: August 2021

Environmental disasters are anthropogenic catastrophic events that affect health. Famous disasters include the Seveso disaster and the Fukushima-Daiichi nuclear meltdown, which had disastrous health consequences. Traditional methods for studying environmental disasters are costly and time-intensive. We propose the use of electronic health records (EHR) and informatics methods to study the health effects of emergent environmental disasters in a cost-effective manner. An emergent environmental disaster is exposure to perfluoroalkyl substances (PFAS) in the Philadelphia area. Penn Medicine (PennMed) comprises multiple hospitals and facilities within the Philadelphia Metropolitan area, including over three thousand PFAS-exposed women living in one of the highest PFAS exposure areas nationwide. We developed a high-throughput method that utilizes only EHR data to evaluate the disease risk in this heavily exposed population. We replicated all five disease/conditions implicated by PFAS exposure, including hypercholesterolemia, thyroid disease, proteinuria, kidney disease and colitis, either directly or via closely related diagnoses. Using EHRs coupled with informatics enables the health impacts of environmental disasters to be more easily studied in large cohorts versus traditional methods that rely on interviews and expensive serum-based testing. By reducing cost and increasing the diversity of individuals included in studies, we can overcome many of the hurdles faced by previous studies, including a lack of racial and ethnic diversity. This proof-of-concept study confirms that EHRs can be used to study human health and disease impacts of environmental disasters and produces equivalent disease-exposure knowledge to prospective epidemiology studies while remaining cost-effective.
Hydroquinone redox mediator enhances the photovoltaic performances of chlorophyll-based bio-inspired solar cells
Authors: Duan Shengnan , Uragami Chiasa , Horiuchi Kota , Hino Kazuki , Wang Xiao-Feng , Sasaki Shin-ichi , Tamiaki Hitoshi , Hashimoto Hideki
Published: August 2021

Chlorophyll (Chl) derivatives have recently been proposed as photoactive materials in next-generation bio-inspired solar cells, because of their natural abundance, environmental friendliness, excellent photoelectric performance, and biodegradability. However, the intrinsic excitation dynamics of Chl derivatives remain unclear. Here, we show sub-nanosecond pump–probe time-resolved absorption spectroscopy of Chl derivatives both in solution and solid film states. We observe the formation of triplet-excited states of Chl derivatives both in deoxygenated solutions and in film samples by adding all-trans-β-carotene as a triplet scavenger. In addition, radical species of the Chl derivatives in solution were identified by adding hydroquinone as a cation radical scavenger and/or anion radical donor. These radical species (either cations or anions) can become carriers in Chl-derivative-based solar cells. Remarkably, the introduction of hydroquinone to the film samples enhanced the carrier lifetimes and the power conversion efficiency of Chl-based solar cells by 20% (from pristine 1.29% to 1.55%). This enhancement is due to a charge recombination process of Chl-A+/Chl-D–, which is based on the natural Z-scheme process of photosynthesis.
How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations?
Authors: Akter Sharmin , Vargas Jorge A. , Sharkas Kamal , Peralta Juan E. , Jackson Koblar A. , Baruah Tunna , Zope Rajendra R.
Published: August 2021

This article investigates the role of self-interaction error on the molecular polarizabilities calculated within the local spin density and generalized gradient approximations.
A facile aptamer immobilization strategy to fabricate a robust affinity monolith for highly specific in-tube solid-phase microextraction
Authors: Zhao Tingting , Tong Shiqian , Zhou Susu , Lin Chenchen , Lin Xucong , Xie Zenghong
Published: August 2021

An ultra-high density aptamer immobilization of up to 8600 pmol μL−1 was achieved via a simple adsorption strategy, and excellent specific recognition and anti-cross reactivity in IT-SPME were realized.
Mechanism and stability investigation of a nozzle-free droplet-on-demand acoustic ejector
Authors: Ning Yuan , Zhang Menglun , Zhang Hongxiang , Duan Xuexin , Yuan Yi , Liu Buohua , Pang Wei
Published: August 2021

A novel acoustic ejector without a nozzle was proposed for picoliter droplet jetting using a Lamb wave transducer array.
A novel near-infrared colorimetric and fluorescent probe based on a piperidine-substituted aza-BODIPY photosensitizer for detection of extreme acidity
Authors: Zhou Jinfeng , Li Gang , Ling Jiejie , Zhou Qing , Chu Chunjie
Published: August 2021

This work reports a facile synthesis of a novel near-infrared (NIR) colorimetric and fluorescent pH probe, and its application in the detection of extreme acidity based on the internal charge transfer (ICT) effect.
A dicoordinate gold(i)–ethylene complex
Authors: Navarro Miquel , Miranda-Pizarro Juan , Moreno Juan J. , Navarro-Gilabert Carlos , Fernández Israel , Campos Jesús
Published: August 2021

The use of the exceptionally bulky tris-2-(4,4′-di-tert-butylbiphenylyl)phosphine ligand allows the isolation and complete characterization of the first dicoordinate gold(i)–ethylene adduct, filling a missing fundamental piece on the organometallic chemistry of gold.
Interface dependence of electrical contact and graphene doping in graphene/XPtY (X, Y = S, Se, and Te) heterostructures
Authors: Ju Weiwei , Wang Donghui , Zhou Qingxiao , Kang Dawei , Li Tongwei , Hu Guangxiong , Li Haisheng
Published: August 2021

The electrical contact and graphene doping are studied in Gr/XPtY (X,Y = S, Se, and Te) vdW heterostructures. The types of interfacial electrical contact and Gr doping are closely related to the interface chalcogen atoms.
Direct evidence for a radiation-induced synthesis of acetonitrile and isoacetonitrile from a 1 : 1 CH4⋯HCN complex at cryogenic temperatures: is it a missing link between inorganic and prebiotic astrochemistry?
Authors: Volosatova Anastasia D. , Lukianova Mariia A. , Zasimov Pavel V. , Feldman Vladimir I.
Published: August 2021

An isolated CH4⋯HCN complex was prepared in low-temperature matrices and converted to CH3CN and CH3NC by X-ray irradiation at 6 K.
Polycyclic aromatic hydrocarbons: from small molecules through nano-sized species towards bulk graphene
Authors: Chan Bun , Karton Amir
Published: August 2021

Accurate energetics of polycyclic aromatic hydrocarbons from isodesmic-type reactions show that nano-graphene converges to bulk graphene at ∼10 nm.
Massive dipoles across the metal–semiconductor cluster interface: towards chemically controlled rectification
Authors: Bista Dinesh , Sengupta Turbasu , Khanna Shiv N.
Published: August 2021

An interface between a metallic cluster (MgAl12) and a semiconducting cluster (Re6Se8(PMe3)5) is shown to be marked by a massive dipole reminiscent of a dipolar layer leading to a Schottky barrier at metal–semiconductor interfaces.
From fluorogens to fluorophores by elucidation and suppression of ultrafast excited state processes of a Schiff base
Authors: Dasgupta Souradip , Banerjee Shrobona , Das Sharmistha , Datta Anindya
Published: August 2021

Ultrafast nonradiative deactivation pathways of salampy, a weakly emissive Schiff base, are arrested upon deprotonation and more so upon complexation with Zn2+ and Al3+, resulting in stronger, longer lived fluorescence.
Single-nanoparticle spectroelectrochemistry studies enabled by localized surface plasmon resonance
Authors: Pan Shanlin , Li Xiao , Yadav Jeetika
Published: August 2021

Details of electrodeposition and local chemical transformations of single nanostructures can be studied using surface plasmon resonance-enabled darkfield light scattering, photoluminescence, and electrogenerated chemiluminescence.
Development of robust and superamphiphobic membranes using reduced graphene oxide (rGO)/PVDF-HFP nanocomposite mats for membrane distillation
Authors: Chen Tiantian , Ma Wen , Lee Jongho , Jassby David , Rahaman Md. Saifur
Published: August 2021

One-step tailoring of robust superamphiphobicity on nanocomposite mats with superior antifouling and anti-wetting properties for membrane distillation.
A highly dispersed Co–Fe bimetallic catalyst to activate peroxymonosulfate for VOC degradation in a wet scrubber
Authors: Xie Xiaowen , Xie Ruijie , Suo Ziyi , Huang Haibao , Xing Mingyang , Lei Dongxue
Published: August 2021

This work synthesized a highly dispersed Co–Fe bimetallic catalyst with uncalcined SBA-15 as the support, which was very efficient for PMS activation and gaseous toluene degradation in the wet scrubbing waste gas treatment system.
Carboxymethyl chitosan coated medium-chain fatty acid nanoliposomes: structure, composition, stability and in vitro release investigation
Authors: Zheng Huijuan , Liu Weilin , Yang Shuibing
Published: August 2021

Improved physicochemical stability and sustained release of medium chain fatty acids (MCFAs) by coating the nanoliposomes with carboxymethyl chitosan (CMCS).
Orderly cascade of immobilized-enzyme catalysis and photocatalysis for continuous-microflow production of 2-phenylbenzothiazole
Authors: Chen Qiang , Luo Guang-Sheng , Wang Yu-Jun
Published: August 2021

For the first time, immobilized-enzyme catalysis and photocatalysis are orderly cascaded in a continuous-microflow manner for green synthesis of 2-phenylbenzothiazole.
Visible light-driven metal-free synthesis of highly substituted pyrroles through C–H functionalisation
Authors: von Zuben Theodora W. , Cariello Silva Guilherme , Salles Airton G.
Published: August 2021

A visible light-driven metal-free multicomponent synthesis of unprecedented highly substituted pyrroles is reported.
N-Iodosuccinimide and dioxygen in an air-enabled synthesis of 10-phenanthrenols under sunlight
Authors: Guo Jia-Dong , Yang Xiu-Long , Chen Bin , Tung Chen-Ho , Wu Li-Zhu
Published: August 2021

Using a catalytic amount of N-iodosuccinimide (NIS) in combination with O2 in air, an aerobic oxidative reaction was carried out to efficiently and scalably construct a series of 10-phenanthrenols under sunlight at room temperature.
Nitrile-containing pharmaceuticals: target, mechanism of action, and their SAR studies
Authors: Wang Xi , Wang Yuanxun , Li Xuemin , Yu Zhenyang , Song Chun , Du Yunfei
Published: August 2021

This review summarizes versatile nitrile-containing drugs in the following aspects: target, mechanism of action and their structure activity relationship, and categorizes these drugs based on their target diseases.
SF5- and SCF3-substituted tetrahydroquinoline compounds as potent bactericidal agents against multidrug-resistant persister Gram-positive bacteria
Authors: Onyedibe Kenneth I. , Dayal Neetu , Sintim Herman O.
Published: August 2021

Bacteria persister cells are immune to most antibiotics and hence compounds that are active against persister bacteria are needed.
A computational-cum-experimental study provides some clues on the druggable binding site and design of anticancer therapeutics on ETV1 transcription factor oncoprotein
Authors: I.V Ambily Nath , A Jero Mathu , A Jayakumaran Nair , Nair Achuthsankar S.
Published: August 2021

Triprolidine docking to each of the five single-residue ETV1 mutants featured Met424 and Cys416 as hot spots that rendered a logically correct high affinity pose. This reshaping of the dimer interface could guide the design of anticancer compounds.
Self-assembly of a benzothiazolone conjugate into panchromatic fluorescent fibres and their application in cellular imaging
Authors: Kshtriya Vivekshinh , Koshti Bharti , Gangrade Ankit , Haque Ashadul , Singh Ramesh , Joshi Khashti Ballabh , Bhatia Dhiraj , Gour Nidhi
Published: August 2021

We report self assembly of a benzothiazolone conjugate (CBT) into fluorescent panchromatic fibres and their application as a panchromatic dye in bioimaging.
Protonation of cyclen-based chelating agents containing fluorescent moieties
Authors: Bartoli Francesco , Conti Luca , Romano Giammarco Maria , Massai Lara , Paoli Paola , Rossi Patrizia , Pietraperzia Giangaetano , Gellini Cristina , Bencini Andrea
Published: August 2021

The fluorescence emission properties of 1,4,7,10-tetraazacyclododecane-based receptors with appended heteroaromatic fluorophores are tuned by photoinduced electron and proton transfer processes.
Phase transition and topological transistors based on monolayer Na3Bi nanoribbons
Authors: Shi Bowen , Tang Hao , Song Zhigang , Li Jingzhen , Xu Lianqiang , Liu Shiqi , Yang Jie , Sun Xiaotian , Quhe Ruge , Yang Jinbo , Lu Jing
Published: August 2021

A topological transistor based on ML Na3Bi nanoribbon switched by electrical field is simulated by first-principles quantum transport simulation.
Bidirectional doping of two-dimensional thin-layer transition metal dichalcogenides using soft ammonia plasma
Authors: Tan Pu , Ding Kaixuan , Zhang Xiumei , Ni Zhenhua , Ostrikov Kostya (Ken) , Gu Xiaofeng , Nan Haiyan , Xiao Shaoqing
Published: August 2021

We develop a soft plasma doping concept and demonstrate both n-type and p-type doping for TMDs through adjusting the plasma working parameters. This generic method may be used as a reliable technology for the development of TMD-based devices.
Synthesis and melt-spinning of partly bio-based thermoplastic poly(cycloacetal-urethane)s toward sustainable textiles
Authors: Warlin Niklas , Nilsson Erik , Guo Zengwei , Mankar Smita V. , Valsange Nitin G. , Rehnberg Nicola , Lundmark Stefan , Jannasch Patric , Zhang Baozhong
Published: August 2021

Partly bio-based thermoplastic poly(cycloacetal-urethane)s synthesized and melt-spun into textile fibres that can be potentially chemically recycled.
Ceric ammonium nitrate (CAN) enabled concerted nitration/ureation of carbodiimides to synthesize o-nitroaryl ureas
Authors: Wang Shilong , Xie Xiangqi , Zhao Xingchen , Liu Jixin , Zhao Ziling , Chen Jinchun , Li Jiazhu , Sun Kai , Zhang Zhen
Published: August 2021

A simple and facile strategy to construct o-nitroaryl urea employing carbodiimides and ceric ammonium nitrate (CAN) with high functional group compatibility via concerted nitration/ureation has been described.
Cobalt-catalyzed C8–H sulfonylation of 1-naphthylamine derivatives with sodium sulfinates
Authors: Sun Yucong , Feng Cancan , Wang Peisong , Yang Fan , Wu Yangjie
Published: August 2021

A facile and efficient protocol for cobalt-catalyzed regioselective C8–H sulfonylation of 1-naphthylamine derivatives with sodium sulfinates was developed to afford sulfonylated naphthylamines in moderate to good yields.
Electricity-induced micro-flow C–H/N–H alkyne annulation: a greener approach to access heteroaromatic compounds
Authors: Kumar Sanjeev , Mahajan Bhushan , Malviya Bhanwar Kumar , Sukumar Genji , Srihari P. , Singh Ajay K.
Published: August 2021

Fast access to structurally diverse heteroaromatic compounds is demonstrated in an integrated continuous-flow manner without employing any expensive oxidant.
Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications
Authors: Liu Tan , Ma Xiaojie , Yu Jiahui , Yang Wensheng , Wang Guiyang , Wang Zhengdong , Ge Yuanjie , Song Juan , Han Hua , Zhang Wen , Yang Donghui , Liu Xuehui , Ma Ming
Published: August 2021

A new class II lasso peptide stlassin (1) was discovered and stlassin derivatives (2–27) were rationally generated by biosynthetic gene mutations and site-selective chemical modifications, expanding the structural diversity of lasso peptides.
Shedding light on predicting and controlling emission chromaticity in multicomponent photoluminescent systems
Authors: Price J. , Balónová B. , Blight B. A. , Eisler S.
Published: August 2021

Predictable colour tuning in multicomponent photoluminescent (PL) systems is achieved using mixtures of simultaneously emitting organic molecules.
Structure–function relationships in aryl diazirines reveal optimal design features to maximize C–H insertion
Authors: Musolino Stefania F. , Pei Zhipeng , Bi Liting , DiLabio Gino A. , Wulff Jeremy E.
Published: August 2021

Electron-rich aryl diazirines have lower activation temperatures and a longer λmax than electron-poor analogues, and undergo C–H insertion up to ten-fold more efficiently—suggesting improved performance for biological probes and polymer crosslinkers.
Surface alignment of ferroelectric nematic liquid crystals
Authors: Caimi Federico , Nava Giovanni , Barboza Raouf , Clark Noel A. , Korblova Eva , Walba David M. , Bellini Tommaso , Lucchetti Liana
Published: August 2021

The coupling of the newly discovered ferroelectric liquid crystal with solid surface gives rise to a variety of orientation, defects and electric field response that are a consequence of the polar symmetry breaking and depend on the specific surface.
Crystalline chlorinated contorted hexabenzocoronene: a universal organic anode for advanced alkali-ion batteries
Authors: Eom Kijoo , Kang Minsung , Park Ju Hyun , Joo Se Hun , Park Jaehyun , Lee Jiseok , Kwak Sang Kyu , Ahn Seokhoon , Kang Seok Ju
Published: August 2021

Chlorinated contorted hexabenzocoronene, a small organic molecule, exhibited universal anode characteristics for Li-ion batteries, Na-ion batteries, and K-ion batteries.
DTX@VTX NPs synergy PD-L1 immune checkpoint nanoinhibitor to reshape immunosuppressive tumor microenvironment for enhancing chemo-immunotherapy
Authors: Zhang Rui , Wan Yingpeng , Lv Hongying , Li Futian , Lee Chun-Sing
Published: August 2021

DTX@VTX NPs synergize PD-L1 nanoinhibitor BMS-1 NPs to reshape the immunosuppressive tumour microenvironment for increasing M1-like cells and CD8 T cells, decreasing M2-like cells and MDSCs and killing tumour cells.
Facile synthesis of biocompatible magnetic titania nanorods for T1-magnetic resonance imaging and enhanced phototherapy of cancers
Authors: Iqbal M. Zubair , Luo Dandan , Akakuru Ozioma U. , Mushtaq Asim , Hou Yike , Ali Israt , Ijaz Gohar , Khalid Bilal , Kong Xiangdong , Wu Aiguo
Published: August 2021

The designed Pluronic® F-127 coated Fe–TiO2 NCs promote the growth of intestine organoids, demonstrate remarkable T1 contrast in MRI and significant photodynamic therapy of breast cancer at very low UV power (2.5 mW cm−2).
Optimized design of a novel yokeless mover permanent magnet linear generator for free‐piston stirling engines applied to solar cogeneration systems
Authors: Tajdiny Arman , Monsef Hassan , Lessani Hamid
Published: August 2021

Considering the growing environmental issues, the use of renewable energy converters such as solar cogeneration systems has received more attention during recent years. Solar cogeneration systems convert the thermal energy of solar radiation into mechanical energy (by means of a free‐piston Stirling engine) and then into electrical energy (by means of a linear generator). This paper introduces the novel yokeless mover permanent magnet linear generator (YMPMLG) to reduce mover mass, increase power density, increase thrust and decrease the normal force on the mover, which can make this generator a more suitable structure for operating in solar cogeneration systems. This paper is initiated with a comparative study of a YMPMLG with two reported prototypes in this field. Three generators with similar characteristics are simulated by the finite element method (FEM). The magnetic field flux density, power density, thrust coefficient, normal force, and efficiency parameters are analysed and compared in three generators. Following that, some dimensional parameters of the YMPMLG, including generator diameter and length and permanent magnet dimensions are optimized to achieve the highest possible power density and thrust coefficient using the ‘hybrid genetic and pattern search’ algorithm. The highest power density and efficiency are 0.58 kW/kg and 90.3%, respectively. In the end, the YMPMLG prototype has been tested to validate the results of the FEM method.
One size does not fit all: Evidence for a range of mixing efficiencies in stellar evolution calculations
Authors: Johnston C.
Published: August 2021

Context. Internal chemical mixing in intermediate- and high-mass stars represents an immense uncertainty in stellar evolution models. In addition to extending the main sequence lifetime, chemical mixing also appreciably increases the mass of the stellar core. Several studies have made attempts to calibrate the efficiency of different convective boundary mixing mechanisms, with sometimes seemingly conflicting results.

Aims. We aim to demonstrate that stellar models regularly under-predict the masses of convective stellar cores.

Methods. We gather convective core mass and fractional core hydrogen content inferences from numerous independent binary and asteroseismic studies, and compare them to stellar evolution models computed with the MESA stellar evolution code.

Results. We demonstrate that core mass inferences from the literature are ubiquitously more massive than predicted by stellar evolution models with no or with little convective boundary mixing.

Conclusions. Independent of the form of internal mixing, stellar models require an efficient mixing mechanism that produces more massive cores throughout the main sequence in order to reproduce high-precision observations. This has implications for the post-main sequence evolution of all stars that have a well-developed convective core on the main sequence.
Diabetische Retinopathie
Authors: Barth Teresa , Helbig Horst
Published: August 2021

Die diabetische Retinopathie (DR) ist die häufigste Ursache für schwere
Sehbehinderung und Erblindung im erwerbstätigen Alter. Eine subjektive
Beeinträchtigung des Sehvermögens tritt häufig erst in fortgeschrittenen Stadien
der DR ein. Daher sind Screening-Maßnahmen asymptomatischer Patienten und eine
stadiengerechte Behandlung essenziell. Dieser Beitrag gibt einen praxisbezogenen
Überblick über diagnostische und therapeutische Prinzipien der
nicht-proliferativen und proliferativen Form.
Abbildungseigenschaften von Brillengläsern
Authors: Reiß Stephan
Published: August 2021

Nicht selten kommt es vor, dass Patienten trotz genauester Durchführung einer Augenglasbestimmung eine Unverträglichkeit der angefertigten Brille beklagen. Hierfür können die Ursachen vielfältig sein. Die Kenntnis der Abbildungseigenschaften von Brillengläsern ist wesentlich für die Verordnung einer verträglichen Brille. Im Folgenden werden diese hinsichtlich der Verordnung einer Fern-, Nah- und Gleitsichtbrille analysiert.