bluuebunny/crossref_metadata_2025 huggingface dataset:
CXCL9 as a key biomarker of vitiligo activity and prediction of the success of cultured melanocyte transplantation
Authors: Lin Fuquan , Hu Wenting , Xu Wen , Zhou Miaoni , Xu Ai‑E.
Published: September 2021

This study aimed to investigate the potential biomarkers of vitiligo by evaluating the disease activity and curative effect of autologous cultured pure melanocyte transplantation (CMT) on patients. Altogether, 36patients with stable vitiligo were treated with CMT. Blister fluid samples were collected from patients with stable vitiligo. Patients with active vitiligo were matched with healthy controls. The chemokine levels in the serum and blister fluid samples were measured using Luminex. The curative effect on patients with stable vitiligo was evaluated 6 months after treatment. Treatment responses were defined according to the extent of repigmentation as effective (if 50% or more repigmentation was achieved) or ineffective (if less than 50% or worse repigmentation was achieved). Patients received re-transplantation if the initial treatment was ineffective. The levels of C-X-C motif chemokine ligand (CXCL)9 and CXCL10 in blister fluid samples were significantly lower in stable patients than in active participants. Receiver operating characteristic analysis revealed that the levels of CXCL9 and CXCL10 were sensitive and specific in diagnosing active vitiligo. Further, 65.6% (21/32) of patients who received CMT had effective treatment responses. The high CXCL9 level in the blister fluid was a significant predictor of ineffective treatment responses. The treatment response was significantly enhanced after treatment. Four patients with ineffective treatment responses received anti-inflammatory treatment and re-transplantation. The CXCL9 and CXCL10 levels in the blister fluid were related to the presence of active vitiligo. Also, the CXCL9 level was a predictor of the effectiveness of CMT in treating vitiligo.
Serological assessment of SARS-CoV-2 infection during the first wave of the pandemic in Louisville Kentucky
Authors: Hamorsky Krystal T. , Bushau-Sprinkle Adrienne M. , Kitterman Kathleen , Corman Julia M. , DeMarco Jennifer , Keith Rachel J. , Bhatnagar Aruni , Fuqua Joshua L. , Lasnik Amanda , Joh Joongho , Chung Donghoon , Klein Jon , Flynn Joseph , Gardner Marti , Barve Shirish , Ghare Smita S. , Palmer Kenneth E.
Published: September 2021

Serological assays intended for diagnosis, sero-epidemiologic assessment, and measurement of protective antibody titers upon infection or vaccination are essential for managing the SARS-CoV-2 pandemic. Serological assays measuring the antibody responses against SARS-CoV-2 antigens are readily available. However, some lack appropriate characteristics to accurately measure SARS-CoV-2 antibodies titers and neutralization. We developed an Enzyme-linked Immunosorbent Assay (ELISA) methods for measuring IgG, IgA, and IgM responses to SARS-CoV-2, Spike (S), receptor binding domain (RBD), and nucleocapsid (N) proteins. Performance characteristics of sensitivity and specificity have been defined. ELISA results show positive correlation with microneutralization and Plaque Reduction Neutralization assays with infectious SARS-CoV-2. Our ELISA was used to screen healthcare workers in Louisville, KY during the first wave of the local pandemic in the months of May and July 2020. We found a seropositive rate of approximately 1.4% and 2.3%, respectively. Our analyses demonstrate a broad immune response among individuals and suggest some non-RBD specific S IgG and IgA antibodies neutralize SARS-CoV-2.
Study on the hydrothermal coupling characteristics of polyurethane insulation boards slope protection structure incorporating phase change effect
Authors: Liu Hailiang , Ma Donghe , Wang Changming , Liu Xiaoyang , Wu Di , Li Bailong , Khan Kaleem Ullah Jan
Published: September 2021

The canals are essential for agricultural irrigation, shipping and industry as important hydraulic infrastructure. In the seasonal freeze regions, the water conveyance canals are damaged due to the effects of freeze–thaw cycles. The freeze depth of soil in the water transfer canal varies considerably due to changes in temperature and water content. This paper compared the relationship of freeze depth, temperature and water content by field tests and numerical calculation methods by incorporating phase change. The results from present study showed that the decrease in temperature causes the water in the soil to freeze, the ice front migrated downwards, and the water in soil below ice front gradually migrated towards the ice front resulting in a large difference in water content of the soil before and after freezing. The Polyurethane insulation board + Concrete board slope structure (PC) as an insulation slope structure was proposed in this paper to mitigate the effect of freezing and thawing on the water conveyance canals. The freeze depth decreased significantly under the protective effect. In addition, this paper compared the anti-frost effect of different thicknesses of polyurethane insulation boards, and the results provided a reference for the anti-frost design of water conveyance canals.
Nadir CA-125 has prognostic value for recurrence, but not for survival in patients with ovarian cancer
Authors: Piatek Szymon , Panek Grzegorz , Lewandowski Zbigniew , Piatek Dominika , Kosinski Przemyslaw , Bidzinski Mariusz
Published: September 2021

The objective of this study was to evaluate the nadir CA-125 in patients with epithelial ovarian cancer. A total of 168 patients who achieved complete remission (no clinical and radiological signs, CA-125 ≤ 35 U/ml) after first-line treatment were enrolled in the study. The relationship between CA-125 and survival was examined by applying generalized additive models to the Cox proportional hazards model. The median CA-125 concentration after the treatment was 10 U/ml (2.7–35 U/ml). The nadir CA-125 was related to progression-free survival but not to overall survival. The risk of recurrence in patients with 11–25 U/ml and 26–35 U/ml compared to patients with ≤ 10 U/ml was 1.87 (p < 0.0024) and 2.17 (p < 0.018), respectively. An increased risk of recurrence according to the nadir CA-125 (≤ 10 U/ml vs. 11–25 U/ml and ≤ 10 U/ml vs. 26–35 U/ml) was found in patients with high-grade tumours (hazard ratio, HR = 2.08 and 2.59, respectively), advanced disease (HR = 2.38 and 2.03, respectively), serous histology (HR = 2.08 and 2.43, respectively) and after complete cytoreduction (HR = 2.7 and 2.72, respectively). No correlation between the CA-125 nadir and recurrence risk was found in patients with early-stage disease or those receiving neoadjuvant chemotherapy or bevacizumab.
Red-lesion extraction in retinal fundus images by directional intensity changes’ analysis
Authors: Monemian Maryam , Rabbani Hossein
Published: September 2021

Diabetic retinopathy (DR) is an important retinal disease threatening people with the long diabetic history. Blood leakage in retina leads to the formation of red lesions in retina the analysis of which is helpful in the determination of severity of disease. In this paper, a novel red-lesion extraction method is proposed. The new method firstly determines the boundary pixels of blood vessel and red lesions. Then, it determines the distinguishing features of boundary pixels of red-lesions to discriminate them from other boundary pixels. The main point utilized here is that a red lesion can be observed as significant intensity changes in almost all directions in the fundus image. This can be feasible through considering special neighborhood windows around the extracted boundary pixels. The performance of the proposed method has been evaluated for three different datasets including Diaretdb0, Diaretdb1 and Kaggle datasets. It is shown that the method is capable of providing the values of 0.87 and 0.88 for sensitivity and specificity of Diaretdb1, 0.89 and 0.9 for sensitivity and specificity of Diaretdb0, 0.82 and 0.9 for sensitivity and specificity of Kaggle. Also, the proposed method has a time-efficient performance in the red-lesion extraction process.
Changes in muscle ultrasound for the diagnosis of intensive care unit acquired weakness in critically ill patients
Authors: Zhang Weiqing , Wu Jun , Gu Qiuying , Gu Yanting , Zhao Yujin , Ge Xiaoying , Sun Xiaojing , Lian Jun , Zeng Qian
Published: September 2021

To test diagnostic accuracy of changes in thickness (TH) and cross-sectional area (CSA) of muscle ultrasound for diagnosis of intensive care unit acquired weakness (ICU-AW). Fully conscious patients were subjected to muscle ultrasonography including measuring the changes in TH and CSA of biceps brachii (BB) muscle, vastus intermedius (VI) muscle, and rectus femoris (RF) muscles over time. 37 patients underwent muscle ultrasonography on admission day, day 4, day 7, and day 10 after ICU admission, Among them, 24 were found to have ICW-AW. Changes in muscle TH and CSA of RF muscle on the right side showed remarkably higher ROC-AUC and the range was from 0.734 to 0.888. Changes in the TH of VI muscle had fair ROC-AUC values which were 0.785 on the left side and 0.779 on the right side on the 10th day after ICU admission. Additionally, Sequential Organ Failure Assessment (SOFA), Acute Physiology, and Chronic Health Evaluation II (APACHE II) scores also showed good discriminative power on the day of admission (ROC-AUC 0.886 and 0.767, respectively). Ultrasonography of changes in muscles, especially in the TH of VI muscle on both sides and CSA of RF muscle on the right side, presented good diagnostic accuracy. However, SOFA and APACHE II scores are better options for early ICU-AW prediction due to their simplicity and time efficiency.
Risk factors for macular pucker after rhegmatogenous retinal detachment surgery
Authors: Hirakata Toshiaki , Hiratsuka Yoshimune , Yamamoto Shutaro , Kanbayashi Koki , Kobayashi Hiroaki , Murakami Akira
Published: September 2021

Macular pucker, also known as an epiretinal membrane, sometimes forms after surgical repair of a rhegmatogenous retinal detachment (RRD) and can decrease visual acuity and cause aniseikonia. However, few reports are evaluating the risk factors of macular pucker using multivariate analysis. To evaluate the risk factors for macular pucker after RRD surgery, 226 patients who underwent RRD surgery and were monitored for greater than 12 months (23.2 ± 6.4 months) after surgery were analyzed retrospectively. Of these cases, macular pucker developed in 26 cases. Multiple logistic regression models of 22 clinical characteristics were performed. An increased risk of macular pucker after RRD surgery was significantly associated with preoperative vitreous haemorrhage (Odds ratio (OR), 4.71; 95% CI 1.19–18.62), multiple retinal breaks (OR, 8.07; 95% CI 2.35–27.71), re-detachment (OR, 19.66; 95% CI 4.87–79.38), and retinal detachment area (OR, 12.91; 95% CI 2.34–71.19). Macular pucker was not associated with the surgical technique. Regardless of the surgical technique used, careful observation for postoperative macular pucker is needed after RRD surgery in high-risk cases. These findings can be used to improve the surgical management of patients with RRD. (183 words).
Corneal endothelial cell density and morphology in ophthalmologically healthy young individuals in Japan: An observational study of 16842 eyes
Authors: Ono Takashi , Mori Yosai , Nejima Ryohei , Iwasaki Takuya , Miyai Takashi , Miyata Kazunori
Published: September 2021

We aimed to investigate the cell density and morphology of the corneal endothelium in ophthalmologically healthy young Japanese, given the lack of normative data in literature. This observational study included eyes without ophthalmologic diseases, besides refractive errors, examined between 1996 and 2015 at Miyata Eye Hospital. Eyes with a history of ophthalmologic diseases or contact lens usage were excluded. Correlation of corneal endothelial cell density (ECD), coefficient of variation (CV), appearance rate of hexagonal cells (6A), and cell area with age were examined. Multivariate linear regression analysis was performed to determine the predictors of corneal parameters. We included 16842 eyes of 8421 individuals (19.6 ± 8.7 years). ECD was 3109.0 ± 303.7 cells/mm2 and significantly reduced with age (p < 0.001). The ECD reduction rate was 0.42%/year in the total population. On multivariate analysis, age and sex were significantly correlated with ECD, CV, 6A, and cell area (all p < 0.001). ECD, 6A, CV, and cell area are significantly associated with age in healthy young Japanese individuals. Monitoring their corneal endothelium is essential to assess the risk of endothelial damage.
Removal behaviour of residual pollutants from biologically treated palm oil mill effluent by Pennisetum purpureum in constructed wetland
Authors: Ujang Farhana Aziz , Roslan Ahmad Muhaimin , Osman Nurul Atiqah , Norman Ashreen , Idris Juferi , Farid Mohammed Abdillah Ahmad , Halmi Mohd Izuan Effendi , Gozan Misri , Hassan Mohd Ali
Published: September 2021

The reason for such enormous efforts in palm oil mill effluent research would be what has been singled out as one of the major sources of pollution in Malaysia, and perhaps the most costly and complex waste to manage. Palm oil mill final discharge, which is the treated effluent, will usually be discharged to nearby land or river since it has been the least costly way to dispose of. Irrefutably, the quality level of the treated effluent does not always satisfy the surface water quality in conformity to physicochemical characteristics. To work on improving the treated effluent quality, a vertical surface-flow constructed wetland system was designed with Pennisetum purpureum (Napier grass) planted on the wetland floor. The system effectively reduced the level of chemical oxygen demand by 62.2 ± 14.3%, total suspended solid by 88.1 ± 13.3%, ammonia by 62.3 ± 24.8%, colour by 66.6 ± 13.19%, and tannin and lignin by 57.5 ± 22.3%. Heat map depicted bacterial diversity and relative abundance in life stages from the wetland soil, whereby bacterial community associated with the pollutant removal was found to be from the families Anaerolineaceae and Nitrosomonadaceae, and phyla Cyanobacteria and Acidobacteria.
A reassessment and comparison of the Landolt C and tumbling E charts in managing amblyopia
Authors: Lai Yu-Hung , Wu Horng-Jiun , Chang Shun-Jen
Published: September 2021

Current criteria for amblyopia do not account for difference in visual acuity charts. This prospective observational study analyzed 100 children younger than 10 years treated at a tertiary referral center. Visual acuity was separately tested in each eye using Landolt C and tumbling E charts in a random order. For each chart, receiver operating characteristic curve analysis was performed to determine the best cutoff for visual acuity score. Main outcome measures included the difference in visual acuity scores between the two charts, the feasibility of repeated testing of visual acuity in each eye, and amblyopia cutoff values for each chart. Mean logMAR visual acuity scores obtained by tumbling E chart were significantly better than those obtained by Landolt C chart. For amblyopia, the best cutoff values were <  + 0.14 (20/27 Snellen equivalent) for tumbling E chart and <  + 0.24 (20/35 Snellen equivalent) for Landolt C chart. For children under 10 years old, visual acuity scores for tumbling E chart were significantly better than those for Landolt C chart. We suggest that amblyopia management in children should account for age and the type of visual acuity chart used.
Research on damping performance and strength of the composite laminate
Authors: Zhang Bao , Li Zhi , Wu Huawei , Nie Jinquan
Published: September 2021

In this paper, the influence of E-glass fiber volume fraction and laying angle on the damping and strength of composite laminates was comprehensively analyzed. By increasing the fiber laying angle and reducing the glass fiber volume fraction, the damping capacity of the composite laminate was increased, but the tensile strength of the laminate was reduced; By reducing the fiber laying angle and increasing the glass fiber volume fraction, the tensile strength of the composite laminate was increased, but the damping characteristics of the laminate was reduced. In addition, in the damping experiment of composite laminates, in order to avoid the influence of external damping sources, the vacuum non-contact damping test method was adopted in this paper, and the influence of air damping on the damping experiment results of composite laminates was comparatively analyzed. The results of comparative experiments showed that air damping had a very obvious influence on the damping of composite laminates, especially when the damping of composite laminates was small, the influence of air damping would be greater.
Evidence of shared and distinct functional and structural brain signatures in schizophrenia and autism spectrum disorder
Authors: Du Yuhui , Fu Zening , Xing Ying , Lin Dongdong , Pearlson Godfrey , Kochunov Peter , Hong L. Elliot , Qi Shile , Salman Mustafa , Abrol Anees , Calhoun Vince D.
Published: September 2021

Schizophrenia (SZ) and autism spectrum disorder (ASD) share considerable clinical features and intertwined historical roots. It is greatly needed to explore their similarities and differences in pathophysiologic mechanisms. We assembled a large sample size of neuroimaging data (about 600 SZ patients, 1000 ASD patients, and 1700 healthy controls) to study the shared and unique brain abnormality of the two illnesses. We analyzed multi-scale brain functional connectivity among functional networks and brain regions, intra-network connectivity, and cerebral gray matter density and volume. Both SZ and ASD showed lower functional integration within default mode and sensorimotor domains, but increased interaction between cognitive control and default mode domains. The shared abnormalties in intra-network connectivity involved default mode, sensorimotor, and cognitive control networks. Reduced gray matter volume and density in the occipital gyrus and cerebellum were observed in both illnesses. Interestingly, ASD had overall weaker changes than SZ in the shared abnormalities. Interaction between visual and cognitive regions showed disorder-unique deficits. In summary, we provide strong neuroimaging evidence of the convergent and divergent changes in SZ and ASD that correlated with clinical features.
Identifying the lungs as a susceptible site for allele-specific regulatory changes associated with type 1 diabetes risk
Authors: Ho Daniel , Nyaga Denis M. , Schierding William , Saffery Richard , Perry Jo K. , Taylor John A. , Vickers Mark H. , Kempa-Liehr Andreas W. , O’Sullivan Justin M.
Published: September 2021

Type 1 diabetes (T1D) etiology is complex. We developed a machine learning approach that ranked the tissue-specific transcription regulatory effects for T1D SNPs and estimated their relative contributions to conversion to T1D by integrating case and control genotypes (Wellcome Trust Case Control Consortium and UK Biobank) with tissue-specific expression quantitative trait loci (eQTL) data. Here we show an eQTL (rs6679677) associated with changes toAP4B1-AS1transcript levels in lung tissue makes the largest gene regulatory contribution to the risk of T1D development. Luciferase reporter assays confirmed allele-specific enhancer activity for the rs6679677 tagged locus in lung epithelial cells (i.e. A549 cells; C > A reduces expression,p = 0.005). Our results identify tissue-specific eQTLs for SNPs associated with T1D. The strongest tissue-specific eQTL effects were in the lung and may help explain associations between respiratory infections and risk of islet autoantibody seroconversion in young children.
Lysine-selective molecular tweezers are cell penetrant and concentrate in lysosomes
Authors: Li Zizheng , Siddique Ibrar , Hadrović Inesa , Kirupakaran Abbna , Li Jiwen , Zhang Ye , Klärner Frank-Gerrit , Schrader Thomas , Bitan Gal
Published: September 2021

Lysine-selective molecular tweezers are promising drug candidates against proteinopathies, viral infection, and bacterial biofilm. Despite demonstration of their efficacy in multiple cellular and animal models, important questions regarding their mechanism of action, including cell penetrance and intracellular distribution, have not been answered to date. The main impediment to answering these questions has been the low intrinsic fluorescence of the main compound tested to date, called CLR01. Here, we address these questions using new fluorescently labeled molecular tweezers derivatives. We show that these compounds are internalized in neurons and astrocytes, at least partially through dynamin-dependent endocytosis. In addition, we demonstrate that the molecular tweezers concentrate rapidly in acidic compartments, primarily lysosomes. Accumulation of molecular tweezers in lysosomes may occur both through the endosomal-lysosomal pathway and via the autophagy-lysosome pathway. Moreover, by visualizing colocalization of molecular tweezers, lysosomes, and tau aggregates we show that lysosomes likely are the main site for the intracellular anti-amyloid activity of molecular tweezers. These findings have important implications for the mechanism of action of molecular tweezers in vivo, explaining how administration of low doses of the compounds achieves high effective concentrations where they are needed, and supporting the development of these compounds as drugs for currently cureless proteinopathies.
Topological flocking models in spatially heterogeneous environments
Authors: Rahmani Parisa , Peruani Fernando , Romanczuk Pawel
Published: September 2021

Flocking models with metric and topological interactions are supposed to exhibit distinct features, as for instance the presence and absence of moving polar bands. On the other hand, quenched disorder (spatial heterogeneities) has been shown to dramatically affect large-scale properties of active systems with metric interactions, while the impact of quenched disorder on active systems with metric-free interactions has remained, until now, unexplored. Here, we show that topological flocking models recover several features of metric ones in homogeneous media, when placed in a heterogeneous environment. In particular, we find that order is long-ranged even in the presence of spatial heterogeneities, and that the heterogeneous environment induces an effective density-order coupling facilitating emergence of traveling bands, which are observed in wide regions of parameter space. We argue that such a coupling results from a fluctuation-induced rewiring of the topological interaction network, strongly enhanced by the presence of spatial heterogeneities.
Evidence for accelerated aging in mammary epithelia of women carrying germline BRCA1 or BRCA2 mutations
Authors: Shalabi Sundus F. , Miyano Masaru , Sayaman Rosalyn W. , Lopez Jennifer C. , Jokela Tiina A. , Todhunter Michael E. , Hinz Stefan , Garbe James C. , Stampfer Martha R. , Kessenbrock Kai , Seewaldt Victoria E. , LaBarge Mark A.
Published: September 2021

During aging in the human mammary gland, luminal epithelial cells lose lineage fidelity by expressing markers normally expressed in myoepithelial cells. We hypothesize that loss of lineage fidelity is a general manifestation of epithelia that are susceptible to cancer initiation. In the present study, we show that histologically normal breast tissue from younger women who are susceptible to breast cancer, as a result of harboring a germline mutation in BRCA1, BRCA2 or PALB2 genes, exhibits hallmarks of accelerated aging. These include proportionately increased luminal epithelial cells that acquired myoepithelial markers, decreased proportions of myoepithelial cells and a basal differentiation bias or failure of differentiation of cKit+ progenitors. High-risk luminal and myoepithelial cells are transcriptionally enriched for genes of the opposite lineage, inflammatory- and cancer-related pathways. We have identified breast-aging hallmarks that reflect a convergent biology of cancer susceptibility, regardless of the specific underlying genetic or age-dependent risk or the associated breast cancer subtype.
Exhaled breath analysis using GC-MS and an electronic nose for lung cancer diagnostics
Authors: Gashimova Elina , Osipova Anna , Temerdashev Azamat , Porkhanov Vladimir , Polyakov Igor , Perunov Dmitry , Dmitrieva Ekaterina
Published: September 2021

Applying GC-MS with the use of VOC peak area ratios instead of peak areas allows to distinguish the samples of lung cancer patients and healthy volunteers with higher performance.
A highly sensitive electrochemical aptasensor for vascular endothelial growth factor detection based on toehold-mediated strand displacement reaction
Authors: Gao Zhong , Ren Fangling , Yang Guangyi , Feng Guangjun , Wu Lun , Huang Guiling , Chen Qinhua
Published: September 2021

An ultrasensitive amperometric biosensor was developed by combining TSDR and VEGF aptamer for the electrochemical detection of VEGF.
Visible light bromide catalysis for oxazoline, pyrrolidine, and dihydrooxazine syntheses via Csp3–H functionalizations
Authors: Kaur Navdeep , Ziegelmeyer Elizabeth C. , Farinde Olutayo N. , Truong Jonathon T. , Huynh Michelle M. , Li Wei
Published: September 2021

A photochemical bromide-catalyzed benzylic Csp3–H functionalization protocol is described here for the syntheses of N-heterocycles.
Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties
Authors: Soleymani-Babadi Susan , Beheshti Azizolla , Bahrani-Pour Maryam , Salahshournia Behrang , Zafarian Hamid-Reza , Trzybiński Damian , Mayer Peter , Wozniak Krzysztof
Published: September 2021

Ag(i) coordination polymers based on a S-donor ligand containing of various anions were synthesized and characterized. Also, the absorption potential of the polymers was examined by the NH3 and H2S gases.
Efficient solar photocatalytic hydrogen production using direct Z-scheme heterojunctions
Authors: Lu Kejian , Hou Fangyong , Fu Wenlong , Xue Fei , Liu Maochang
Published: September 2021

A direct Z-Scheme heterojunction photocatalyst composed of TiO2 and Ta3N5 enables efficient and stable photocatalytic water splitting for hydrogen production.
The disparate effect of strain on thermal conductivity of 2-D materials
Authors: Dheeraj K. V. S. , Sathian Sarith P.
Published: September 2021

Effect of tensile strain on the thermal conductivity of 2-D materials.
Two-bond 13C–13C spin-coupling constants in saccharides: dependencies on exocyclic hydroxyl group conformation
Authors: Lin Jieye , Meredith Reagan J. , Oliver Allen G. , Carmichael Ian , Serianni Anthony S.
Published: September 2021

13C-Labeled mono- and disaccharides were studied by X-ray crystallography and solid-state 13C NMR to determine the dependence of 2JC1,C3 in aldopyranosyl rings on the C1–C2–O2–H torsion angle, θ2, involving C2 of the C1–C2–C3 coupling pathway.
An efficient implementation of spin–orbit coupling within the framework of semiempirical orthogonalization-corrected methods for ultrafast intersystem crossing dynamics
Authors: Liu Jie , Lan Zhenggang , Yang Jinlong
Published: September 2021

We implement spin–orbit coupling (SOC) within the framework of the OMx/CIS method and then incorporate it into Tully's fewest switches surface hopping algorithm to enable excited-state nonadiabatic dynamics simulations.
Chemical data intelligence for sustainable chemistry
Authors: Weber Jana M. , Guo Zhen , Zhang Chonghuan , Schweidtmann Artur M. , Lapkin Alexei A.
Published: September 2021

This study highlights new opportunities for optimal reaction route selection from large chemical databases brought about by the rapid digitalisation of chemical data.
Main-group metal complexes of α-diimine ligands: structure, bonding and reactivity
Authors: Zhang Rong , Wang Yanchao , Zhao Yanxia , Redshaw Carl , Fedushkin Igor L. , Wu Biao , Yang Xiao-Juan
Published: September 2021

The use of dad (and bian) ligands in the stabilization of main-group complexes, in particular metal–metal-bonded compounds, as well as the small molecule reactivity of these (low-valent) metal complexes, is summarized.
Macroscopic covalent organic framework architectures for water remediation
Authors: Mohammed Abdul Khayum , Shetty Dinesh
Published: September 2021

This article has critically reviewed the story of macroscopic developments of COFs for water remediation. The various macroscopic COFs for removing toxic organic and inorganic pollutants have been systematically surveyed.
Revealing hidden features of a Japanese articulated iron lobster via non-destructive local elemental analysis and 3D imaging
Authors: Szentmiklósi László , Kis Zoltán , Tanaka Manako , Maróti Boglárka , Hoshino Masato , Bajnok Katalin
Published: September 2021

We determined non-destructively the elemental compositions of internal volumes within complex-shaped objects, by combining 3D X-ray or neutron imaging, prompt-gamma activation analysis, and Monte Carlo computer simulations.
Fast non-ambipolar diffusion of charge carriers and the impact of traps and hot carriers on it in CsMAFA perovskite and GaAs
Authors: Pasanen Hannu P. , Liu Maning , Kahle Hermann , Vivo Paola , Tkachenko Nikolai V.
Published: September 2021

The diffusion of charge carriers in metal halide perovskite was thoroughly investigated with a focus on the hot carriers and surface traps, producing new models for the hot carrier cooling, trap behaviour and even evidence of non-ambipolar diffusion.
An organic–inorganic hybrid double perovskite-type cage-like crystal (MA)2KBiCl6 (MA = methylammonium cation) with dielectric switching behavior
Authors: Xiang Lin , Huang Yi-Fang , Feng Yan , Wang Na , Liao Rong-Meng , Miao Le-Ping , Li Jian-Rong , Ye Heng-Yun , Shi Chao
Published: September 2021

A halide based three-dimensional hybrid bimetal perovskite shows a reversible structure phase transition accompanied by switchable dielectric properties which provides a new study platform for dielectric materials.
Beyond homogeneous dispersion: oriented conductive fillers for highκnanocomposites
Authors: Yu Seunggun , Shen Xi , Kim Jang-Kyo
Published: September 2021

This review summarizes strategies for achieving high thermal conductivities of polymer composites by tailoring orientation of fillers that is hardly achieved in conventional particulate-filled composites for emerging thermal management applications.
A platinum nanoparticle doped self-assembled peptide bolaamphiphile hydrogel as an efficient electrocatalyst for the hydrogen evolution reaction
Authors: Kori Deepak K. K. , Jadhav Rohit G. , Dhruv Likhi , Das Apurba K.
Published: September 2021

In situ synthesised Pt nanoparticle doped peptide bolaamphiphile nanofibers show excellent activity and stability for the hydrogen evolution reaction.
Gellan hydrogel-template synthesis of Au/MnO2 with enhanced photothermal conversion performance for localized cancer therapy
Authors: Liu Yandi , Hao Yijun , Wu Yingjiao , Lu Sha , Li Juan , Zhou Zhijun
Published: September 2021

A Au/MnO2@GG nanocomposite hydrogel is in situ synthesized in a gellan matrix showing NIR-triggered hyperthermia with high photothermal conversion efficiency for antitumor applications.
The factors that govern the allosteric chemical sensing of polythiophene chemosensors: scope and limitation toward signal-amplification sensing
Authors: Tsuchiya Tomoaki , Mizuno Hiroaki , Fukuhara Gaku
Published: September 2021

The allosteric sensing of target guest molecules was drastically inhibited by introducing thiophene spacers in the polythiophene backbone, which is caused by the conformational relaxation.
Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry
Authors: Lennox Cameron B. , Do Jean-Louis , Crew Joshua G. , Arhangelskis Mihails , Titi Hatem M. , Howarth Ashlee J. , Farha Omar K. , Friščić Tomislav
Published: September 2021

Mechanochemistry enables rapid access to boron imidazolate frameworks (BIFs), including ultralight materials based on Li and Cu(i) nodes, as well as new, previously unexplored systems based on Ag(i) nodes.
The mechanism of oxidative addition of Pd(0) to Si–H bonds: electronic effects, reaction mechanism, and hydrosilylation
Authors: Hurst Michael R. , Zakharov Lev N. , Cook Amanda K.
Published: September 2021

Mechanistic studies reveal the rate law, an H/D KIE, and that the silane’s electronics impact the thermodynamic and kinetic energetics of the oxidative addition reaction. These electronic effects are relevant in the hydrosilylation of alkynes.
Bonding heterogeneity in mixed-anion compounds realizes ultralow lattice thermal conductivity
Authors: Sato Naoki , Kuroda Norihide , Nakamura Shun , Katsura Yukari , Kanazawa Ikuzo , Kimura Kaoru , Mori Takao
Published: September 2021

Bonding heterogeneity in mixed-anion chalcohalides derives ultralow lattice thermal conductivity despite their low averaged atomic mass.
In situ embedding of cobalt sulfide quantum dots among transition metal layered double hydroxides for high performance all-solid-state asymmetric supercapacitors
Authors: Liu Zhiqiang , Qiu Yanling , Zhang Aitang , Yang Wenrong , Barrow Colin J. , Razal Joselito M. , Liu Jingquan
Published: September 2021

Layered double hydroxides (LDHs) are widely used as cathode materials for supercapacitors (SCs), thanks to their many advantages.
Amidation induced self-reduction of p-GO with Lewis-base termination for all-inorganic CsPbIBr2perovskite solar cells
Authors: Du Jian , Duan Jialong , Guo Qiyao , Duan Yanyan , Yang Xiya , Zhou Quanzhu , Tang Qunwei
Published: September 2021

Fluoroaniline terminated graphene oxide is demonstrated to manipulate the defective interface of perovskite film, finally delivering an efficiency up to 11.08% with superior stability as well as the reduced Pb2+leakage.
In0.5Ga0.5N layers by atomic layer deposition
Authors: Rouf Polla , Palisaitis Justinas , Bakhit Babak , O'Brien Nathan J. , Pedersen Henrik
Published: September 2021

We present an ALD approach to metastable In1−xGaxN with 0.1 <x< 0.5 based on solid In- and Ga-precursors that were co-sublimed into the deposition chamber in one pulse.
Stability enhancement of InP quantum dot/poly(methyl methacrylate) nanocomposites for light-emitting diode applications by grafting thermoresponsive poly(N-isopropylacrylamide)
Authors: Jo Joon Hee , Lee Seung Jun , Heo Ho Seok , Lee Kangtaek
Published: September 2021

Nanocomposites containing thermoresponsive poly(N-isopropylacrylamide)-grafted InP QDs exhibit enhanced stability against high temperature and humidity and luminescence properties.
Novel 12,12-dimethyl-7,12-dihydrobenzo[a]acridine as a deep-blue emitting chromophore for OLEDs with narrow-band emission and suppressed efficiency roll-off
Authors: Qiu Xu , Xu Lei , Ying Shian , Ye Xiyun , Xu Pei , Wang Bohan , Hu Dehua , Ma Dongge , Ma Yuguang
Published: September 2021

Two new deep-blue emitters based on 12,12-dimethyl-7,12-dihydrobenzo[a]acridine provide efficient narrow-band deep-blue emission and suppressed efficiency roll-off in OLED devices.
The roles of epigenetics in cancer progression and metastasis
Authors: Chen Jocelyn F. , Yan Qin
Published: September 2021

Cancer metastasis remains a major clinical challenge for cancer treatment. It is therefore crucial to understand how cancer cells establish and maintain their metastatic traits. However, metastasis-specific genetic mutations have not been identified in most exome or genome sequencing studies. Emerging evidence suggests that key steps of metastasis are controlled by reversible epigenetic mechanisms, which can be targeted to prevent and treat the metastatic disease. A variety of epigenetic mechanisms were identified to regulate metastasis, including the well-studied DNA methylation and histone modifications. In the past few years, large scale chromatin structure alterations including reprogramming of the enhancers and chromatin accessibility to the transcription factors were shown to be potential driving force of cancer metastasis. To dissect the molecular mechanisms and functional output of these epigenetic changes, it is critical to use advanced techniques and alternative animal models for interdisciplinary and translational research on this topic. Here we summarize our current understanding of epigenetic aberrations in cancer progression and metastasis, and their implications in developing new effective metastasis-specific therapies.
Efficient Estimation of Children's Language Exposure in Two Bilingual Communities
Authors: Cychosz Margaret , Villanueva Anele , Weisleder Adriana
Published: September 2021

Purpose

The language that children hear early in life is associated with their speech-language outcomes. This line of research relies on naturalistic observations of children's language input, often captured with daylong audio recordings. However, the large quantity of data that daylong recordings generate requires novel analytical tools to feasibly parse thousands of hours of naturalistic speech. This study outlines a new approach to efficiently process and sample from daylong audio recordings made in two bilingual communities, Spanish–English in the United States and Quechua–Spanish in Bolivia, to derive estimates of children's language exposure.

Method

We employed a general sampling with replacement technique to efficiently estimate two key elements of children's early language environments: (a) proportion of child-directed speech (CDS) and (b) dual language exposure. Proportions estimated from random sampling of 30-s segments were compared to those from annotations over the entire daylong recording (every other segment), as well as parental report of dual language exposure.

Results

Results showed that approximately 49 min from each recording or just 7% of the overall recording was required to reach a stable proportion of CDS and bilingual exposure. In both speech communities, strong correlations were found between bilingual language estimates made using random sampling and all-day annotation techniques. A strong association was additionally found for CDS estimates in the United States, but this was weaker at the Bolivian site, where CDS was less frequent. Dual language estimates from the audio recordings did not correspond well to estimates derived from parental report collected months apart.

Conclusions

Daylong recordings offer tremendous insight into children's daily language experiences, but they will not become widely used in developmental research until data processing and annotation time substantially decrease. We show that annotation based on random sampling is a promising approach to efficiently estimate ambient characteristics from daylong recordings that cannot currently be estimated via automated methods.
Second‐order adaptive integral terminal sliding mode approach to tracking control of robotic manipulators
Authors: Hao Shuang , Hu Lingyan , Liu Peter Xiaoping
Published: September 2021

A second‐order adaptive integral terminal sliding mode controller is proposed for the trajectory tracking control of robotic manipulators with uncertainties. A second‐order integral terminal sliding mode surface is designed for which an integral sliding mode (ISM) surface and a fast nonsingular integral terminal sliding mode surface are combined. By using the ISM surface, the reaching phase is removed, which enhances system robustness. The steady‐state error is reduced because of the presence of an error integral term. A fast second‐order nonsingular integral terminal sliding mode surface is employed to ensure that the ISM surface is able to converge to zero rapidly within a finite period of time without leading to a singularity problem. The control input of the proposed controller is continuous. Thus, the chattering phenomenon is removed. An adaptation technique is employed to estimate the upper bound of unknown lumped disturbance. The second‐order derivative of position is calculated using a robust differentiator, making it practical. Simulations and experiments show that the proposed scheme improves the tracking performance and eliminates chattering.
Communication constrained robust guidance strategy using quantized artificial time delay based control with input saturation
Authors: Banerjee Arunava , Amrr Syed Muhammad , Sarkar Rajasree , Saidi Abdelaziz Salah , Nabi M.
Published: September 2021

This work proposes the use of a logarithmic quantizer to minimize the computational load on the onboard processor of missiles. The quantizer output discretizes the continuous guidance command to a finite set of predefined discrete levels. This in turn puts an end to the need for installing a powerful state of the art modern processor onboard a missile, while enabling designers to install a comparatively cost efficient and compact processor. To include robustness properties, the proposed guidance strategy adopts the artificial time‐delayed control (TDC) philosophy. The use of TDC methodology eliminates the conservative assumptions of a priori knowledge about uncertainty bounds as required by most state‐of‐the‐art robust control schemes. Thus, the proposed guidance law is able to achieve interception even in the presence of uncertainties while significantly reducing control updates due to the use of input quantizer. Input saturation is also considered for the proposed quantized time‐delay control (QTDC) based guidance strategy. The Uniformly Ultimately Bounded (UUB) convergence of the closed‐loop system states is demonstrated through the Lyapunov theory. Simulation studies involving various engagement scenarios and a comparative performance study of the QTDC guidance scheme with the conventional periodic time‐triggered TDC technique are provided to highlight the efficacy of the proposed approach. In this work, a quantized input time delay based control is used to significantly reduce the control updates while designing an efficient robust control strategy. A sense of time‐energy efficiency is introduced for the overall system and input saturation is also considered.
Experimental research on the influence of temperature on the discharge signal of void defects in GIS
Authors: Zhang Zhaoqi , Song Hui , Meng Xianglin , Sheng Gehao , Jiang Xiuchen
Published: September 2021

Temperature is an important environmental factor during the operation of gas‐insulated switchgear (GIS), affecting the evaluation results of the GIS equipment to increase the risk of the power system. However, the influence of temperature on the partial discharge detection signal of GIS is still unclear. Aimed at the common void defects in GIS, the law of change on the number of ultrahigh‐frequency (UHF) pulses, the UHF amplitude, the characteristic value of the UHF map, and the maximum apparent charge of a single pulse with temperature are obtained using the UHF method and IEC60270, and corresponding theoretical analysis is carried out. The results show that an increase in temperature leads to a decrease in the void discharge delay time, causing an increase in UHF pulses and a decrease in the apparent charge of a single discharge pulse in the experiment. The increase of temperature makes the void discharge current rise quickly so that the induced UHF amplitude increases. In the range of 40–70°C, the maximum pulse amplitude increases by approximately 30% for every 10°C increase, and the average pulse amplitude increases by approximately 12%. The result of UHF signals affected by temperature obtained in this study has research significance for the realisation of a comprehensive evaluation of the insulation state of GIS equipment considering temperature.
Using C‐type filter with partial compensation method for capacity reduction of hybrid power quality conditioner in co‐phase traction power system
Authors: Habibolahzadeh Mohammad , Mahdinia Roudsari Hossein , Jalilian Alireza , Jamali Sadegh
Published: September 2021

Hybrid power quality conditioner (HPQC) has been utilised in a co‐phase electrified railway system with the aim of improving power quality indices. A C‐type filter is designed as an auxiliary device alongside the HPQC for high‐order harmonics mitigation in this paper. Alternatively, the C‐type filter compensates a selected portion of load reactive power, while the HPQC compensates for the left required power. Furthermore, the HPQC mitigates grid side unbalance and other harmonics in a co‐phase supplied system simultaneously. In addition, a design procedure of LCL filters is proposed to suppress high‐order harmonic contents induced by the HPQC converters to achieve lower grid‐side total harmonic distortion (THD). Moreover, a flexible partial compensation (PC) method considering the C‐type filter effect on the HPQC performance is adapted to maintain the grid‐side power quality indices in an acceptable range. The C‐type filter and PC method provide VA rating reduction of the HPQC without applying any complication to the compensation control system. Finally, simulation and experimental results are presented to validate the feasibility and functionality of the proposed configuration.
Radial structure and formation of the Milky Way disc
Authors: Katz D. , Gómez A. , Haywood M. , Snaith O. , Di Matteo P.
Published: September 2021

Context. The formation of the Galactic disc is an enthusiastically debated issue. Numerous studies and models seek to identify the dominant physical process(es) that shaped its observed properties; for example, satellite accretion, starburst, quenching, gas infall, and stellar radial migration.

Aims. Taking advantage of the improved coverage of the inner Milky Way provided by the SDSS DR16 APOGEE catalogue and of the ages published in the APOGEE-AstroNN Value Added Catalogue (VAC), we examined the radial evolution of the chemical and age properties of the Galactic stellar disc with the aim of better constraining its formation.

Methods. Using a sample of 199 307 giant stars with precise APOGEE abundances and APOGEE-AstroNN ages, selected in a ±2 kpc layer around the galactic plane, we assessed the dependency as a function of guiding radius of (i) the median metallicity, (ii) the ridge lines of the [Fe/H] − [Mg/Fe] and age–[Mg/Fe] distributions, and (iii) the age distribution function (ADF).

Results. The giant star sample allows us to probe the radial behaviour of the Galactic disc from Rg = 0 to 14−16 kpc. The thick disc [Fe/H] − [Mg/Fe] ridge lines follow closely grouped parallel paths, supporting the idea that the thick disc did form from a well-mixed medium. However, the ridge lines present a small drift in [Mg/Fe], which decreases with increasing guiding radius. At sub-solar metallicity, the intermediate and outer thin disc [Fe/H] − [Mg/Fe] ridge lines follow parallel sequences shifted to lower metallicity as the guiding radius increases. We interpret this pattern as the signature of a dilution of the interstellar medium from Rg ∼ 6 kpc to the outskirts of the disc, which occurred before the onset of the thin disc formation. The APOGEE-AstroNN VAC provides stellar ages for statistically significant samples of thin disc stars from the Galactic centre up to Rg ∼ 14 kpc. An important result provided by this dataset is that the thin disc presents evidence of an inside-out formation up to Rg ∼ 10 − 12 kpc. Moreover, about ∼7 Gyr ago, the [Mg/Fe] ratio in the outer thin disc (Rg > 10 kpc) was higher by about ∼0.03−0.05 dex than in the more internal regions of the thin disc. This could be the fossil record of a pollution of the outer disc gas reservoir by the thick disc during its starburst phase.