bluuebunny/crossref_metadata_2025 huggingface dataset:
Characterisation of drug-resistant Mycobacterium tuberculosis mutations and transmission in Pakistan
Authors: Napier Gary , Khan Anwar Sheed , Jabbar Abdul , Khan Muhammad Tahir , Ali Sajid , Qasim Muhammad , Mohammad Noor , Hasan Rumina , Hasan Zahra , Campino Susana , Ahmad Sajjad , Khattak Baharullah , Waddell Simon J. , Khan Taj Ali , Phelan Jody E. , Clark Taane G.
Published: May 2022

Tuberculosis, caused by Mycobacterium tuberculosis, is a high-burden disease in Pakistan, with multi-drug (MDR) and extensive-drug (XDR) resistance, complicating infection control. Whole genome sequencing (WGS) of M. tuberculosis is being used to infer lineages (strain-types), drug resistance mutations, and transmission patterns—all informing infection control and clinical decision making. Here we analyse WGS data on 535 M. tuberculosis isolates sourced across Pakistan between years 2003 and 2020, to understand the circulating strain-types and mutations related to 12 anti-TB drugs, as well as identify transmission clusters. Most isolates belonged to lineage 3 (n = 397; 74.2%) strain-types, and were MDR (n = 328; 61.3%) and (pre-)XDR (n = 113; 21.1%). By inferring close genomic relatedness between isolates (< 10-SNPs difference), there was evidence of M. tuberculosis transmission, with 55 clusters formed consisting of a total of 169 isolates. Three clusters consist of M. tuberculosis that are similar to isolates found outside of Pakistan. A genome-wide association analysis comparing ‘transmitted’ and ‘non-transmitted’ isolate groups, revealed the nusG gene as most significantly associated with a potential transmissible phenotype (P = 5.8 × 10–10). Overall, our study provides important insights into M. tuberculosis genetic diversity and transmission in Pakistan, including providing information on circulating drug resistance mutations for monitoring activities and clinical decision making.
LncMIR181A1HG is a novel chromatin-bound epigenetic suppressor of early stage osteogenic lineage commitment
Authors: Tye Coralee E. , Ghule Prachi N. , Gordon Jonathan A. R. , Kabala Fleur S. , Page Natalie A. , Falcone Michelle M. , Tracy Kirsten M. , van Wijnen Andre J. , Stein Janet L. , Lian Jane B. , Stein Gary S.
Published: May 2022

Bone formation requires osteogenic differentiation of multipotent mesenchymal stromal cells (MSCs) and lineage progression of committed osteoblast precursors. Osteogenic phenotype commitment is epigenetically controlled by genomic (chromatin) and non-genomic (non-coding RNA) mechanisms. Control of osteogenesis by long non-coding RNAs remains a largely unexplored molecular frontier. Here, we performed comprehensive transcriptome analysis at early stages of osteogenic cell fate determination in human MSCs, focusing on expression of lncRNAs. We identified a chromatin-bound lncRNA (MIR181A1HG) that is highly expressed in self-renewing MSCs. MIR181A1HG is down-regulated when MSCs become osteogenic lineage committed and is retained during adipogenic differentiation, suggesting lineage-related molecular functions. Consistent with a key role in human MSC proliferation and survival, we demonstrate that knockdown of MIR181A1HG in the absence of osteogenic stimuli impedes cell cycle progression. Loss of MIR181A1HG enhances differentiation into osteo-chondroprogenitors that produce multiple extracellular matrix proteins. RNA-seq analysis shows that loss of chromatin-bound MIR181A1HG alters expression and BMP2 responsiveness of skeletal gene networks (e.g., SOX5 and DLX5). We propose that MIR181A1HG is a novel epigenetic regulator of early stages of mesenchymal lineage commitment towards osteo-chondroprogenitors. This discovery permits consideration of MIR181A1HG and its associated regulatory pathways as targets for promoting new bone formation in skeletal disorders.
Electron beam evaporation of superconductor-ferromagnet heterostructures
Authors: Bromley D. , Wright A. J. , Jones L. A. H. , Swallow J. E. N. , Beesley T. , Batty R. , Weatherup R. S. , Dhanak V. R. , O’Brien L.
Published: May 2022

We report on the electronic and magnetic properties of superconductor-ferromagnet heterostructures fabricated by electron beam evaporation on to unheated thermally oxidised Si substrates. Polycrystalline Nb thin films (5 to 50 nm thick) were shown to possess reliably high superconducting critical temperatures ($$T_{c}$$

T
c

), which correlate well with the residual resistivity ratio (RRR) of the film. These properties improved during ex-situ annealing, resulting in $${\Delta }T_{c}$$

Δ

T
c

and $${\Delta }$$
Δ
RRR increases of up 2.2 K ($$\sim$$
∼
40% of the pre-annealed $$T_{c}$$

T
c

) and 0.8 ($$\sim$$
∼
60% of the pre-annealed RRR) respectively. Nb/Pt/Co/Pt heterostructures showed substantial perpendicular anisotropy in the ultrathin limit (≤ 2.5 nm), even in the extreme limit of Pt(0.8 nm)/Co(1 nm)/Pt(0.6 nm). These results point to the use of electron beam evaporation as route to line-of-sight deposited, low-thickness, high quality Nb-based superspintronic multilayers.
On Methods for the Measurement of the Apelin Receptor Ligand Apelin
Authors: Janssens Peter , de Loor Henriette , Decuypere Jean-Paul , Vennekens Rudi , Llorens-Cortes Catherine , Mekahli Djalila , Bammens Bert
Published: May 2022

Apelin exists in many isoforms, both in the circulation and in specific tissues. Apelin peptides have a short half-life but preservation before measurement is scarcely studied. Reproducible mass spectrometry methods to specifically measure a broad range of apelinergic peptide isoforms are currently lacking. A sample protocol to conserve apelinergic peptides in the preanalytical phase and a high-performance liquid chromatography–tandem mass spectrometry (HPLC–MS/MS) method to measure apelinergic isoforms was developed. Apelin was measured in plasma. For validation, human embryonic kidney (HEK) cells transfected with cDNA for preproapelin were used. Results were compared with a validated radioimmunoassay (RIA) method. Acidifying plasma to pH 2.5 improves post-sampling stability of apelin. HPLC–MS/MS was unable to detect apelin isoforms in plasma of healthy volunteers (n = 16) and chronic kidney disease patients (n = 4). RIA could detect apelin in concentrations between 71 and 263 fmol/l in 10 healthy volunteers. An optimized preanalytical protocol was developed. A sensitive and specific HPLC–MS/MS method failed to detect apelin in human plasma. Apelin-36 was detected in HEK cells transfected with cDNA for preproapelin. Currently, RIA with relatively selective antibodies is the best alternative for the measurement of apelin but novel sensitive and specific methods are needed.
Postural behavior recognition of captive nocturnal animals based on deep learning: a case study of Bengal slow loris
Authors: Lei Yujie , Dong Pengmei , Guan Yan , Xiang Ying , Xie Meng , Mu Jiong , Wang Yongzhao , Ni Qingyong
Published: May 2022

The precise identification of postural behavior plays a crucial role in evaluation of animal welfare and captive management. Deep learning technology has been widely used in automatic behavior recognition of wild and domestic fauna species. The Asian slow loris is a group of small, nocturnal primates with a distinctive locomotion mode, and a large number of individuals were confiscated into captive settings due to illegal trade, making the species an ideal as a model for postural behavior monitoring. Captive animals may suffer from being housed in an inappropriate environment and may display abnormal behavior patterns. Traditional data collection methods are time-consuming and laborious, impeding efforts to improve lorises’ captive welfare and to develop effective reintroduction strategies. This study established the first human-labeled postural behavior dataset of slow lorises and used deep learning technology to recognize postural behavior based on object detection and semantic segmentation. The precision of the classification based on YOLOv5 reached 95.1%. The Dilated Residual Networks (DRN) feature extraction network showed the best performance in semantic segmentation, and the classification accuracy reached 95.2%. The results imply that computer automatic identification of postural behavior may offer advantages in assessing animal activity and can be applied to other nocturnal taxa.
Diagnostic accuracy of keystroke dynamics as digital biomarkers for fine motor decline in neuropsychiatric disorders: a systematic review and meta-analysis
Authors: Alfalahi Hessa , Khandoker Ahsan H. , Chowdhury Nayeefa , Iakovakis Dimitrios , Dias Sofia B. , Chaudhuri K. Ray , Hadjileontiadis Leontios J.
Published: May 2022

The unmet timely diagnosis requirements, that take place years after substantial neural loss and neuroperturbations in neuropsychiatric disorders, affirm the dire need for biomarkers with proven efficacy. In Parkinson’s disease (PD), Mild Cognitive impairment (MCI), Alzheimers disease (AD) and psychiatric disorders, it is difficult to detect early symptoms given their mild nature. We hypothesize that employing fine motor patterns, derived from natural interactions with keyboards, also knwon as keystroke dynamics, could translate classic finger dexterity tests from clinics to populations in-the-wild for timely diagnosis, yet, further evidence is required to prove this efficiency. We have searched PubMED, Medline, IEEEXplore, EBSCO and Web of Science for eligible diagnostic accuracy studies employing keystroke dynamics as an index test for the detection of neuropsychiatric disorders as the main target condition. We evaluated the diagnostic performance of keystroke dynamics across 41 studies published between 2014 and March 2022, comprising 3791 PD patients, 254 MCI patients, and 374 psychiatric disease patients. Of these, 25 studies were included in univariate random-effect meta-analysis models for diagnostic performance assessment. Pooled sensitivity and specificity are 0.86 (95% Confidence Interval (CI) 0.82–0.90, I2 = 79.49%) and 0.83 (CI 0.79–0.87, I2 = 83.45%) for PD, 0.83 (95% CI 0.65–1.00, I2 = 79.10%) and 0.87 (95% CI 0.80–0.93, I2 = 0%) for psychomotor impairment, and 0.85 (95% CI 0.74–0.96, I2 = 50.39%) and 0.82 (95% CI 0.70–0.94, I2 = 87.73%) for MCI and early AD, respectively. Our subgroup analyses conveyed the diagnosis efficiency of keystroke dynamics for naturalistic self-reported data, and the promising performance of multimodal analysis of naturalistic behavioral data and deep learning methods in detecting disease-induced phenotypes. The meta-regression models showed the increase in diagnostic accuracy and fine motor impairment severity index with age and disease duration for PD and MCI. The risk of bias, based on the QUADAS-2 tool, is deemed low to moderate and overall, we rated the quality of evidence to be moderate. We conveyed the feasibility of keystroke dynamics as digital biomarkers for fine motor decline in naturalistic environments. Future work to evaluate their performance for longitudinal disease monitoring and therapeutic implications is yet to be performed. We eventually propose a partnership strategy based on a “co-creation” approach that stems from mechanistic explanations of patients’ characteristics derived from data obtained in-clinics and under ecologically valid settings. The protocol of this systematic review and meta-analysis is registered in PROSPERO; identifier CRD42021278707. The presented work is supported by the KU-KAIST joint research center.
Weak representation of awake/sleep states by local field potentials in aged mice
Authors: Konno Daichi , Ikegaya Yuji , Sasaki Takuya
Published: May 2022

Senescence affects various aspects of sleep, and it remains unclear how sleep-related neuronal network activity is altered by senescence. Here, we recorded local field potential signals from multiple brain regions covering the forebrain in young (10-week-old) and aged (2-year-old) mice. Interregional LFP correlations across these brain regions could not detect pronounced differences between awake and sleep states in both young and aged mice. Multivariate analyses with machine learning algorithms with uniform manifold approximation and projection and robust continuous clustering demonstrated that LFP correlational patterns at multiple frequency bands, ranging from delta to high gamma bands, in aged mice less represented awake/sleep states than those in young mice. By housing aged mice in an enriched environment, the LFP patterns were changed to more precisely represent awake/sleep states. Our results demonstrate senescence-induced changes in neuronal activity at the network level and provide insight into the prevention of pathological symptoms associated with sleep disturbance in senescence.
A mucin protein predominantly expressed in the female-specific symbiotic organ of the stinkbug Plautia stali
Authors: Moriyama Minoru , Hayashi Toshinari , Fukatsu Takema
Published: May 2022

Diverse insects are obligatorily associated with microbial symbionts, wherein the host often develops special symbiotic organs and vertically transmits the symbiont to the next generation. What molecular factors underpin the host-symbiont relationship is of great interest but poorly understood. Here we report a novel protein preferentially produced in a female-specific symbiotic organ of the stinkbug Plautia stali, whose posterior midgut develops numerous crypts to host a Pantoea-allied bacterial mutualist. In adult females, several posteriormost crypts are conspicuously enlarged, presumably specialized for vertical symbiont transmission. We detected conspicuous protein bands specific to the female’s swollen crypts by gel electrophoresis, and identified them as representing a novel mucin-like glycoprotein. Histological inspections confirmed that the mucin protein is localized to the female’s swollen crypts, coexisting with a substantial population of the symbiotic bacteria, and excreted from the swollen crypts to the midgut main tract together with the symbiotic bacteria. Using RNA interference, we successfully suppressed production of the mucin protein in adult females of P. stali. However, although the mucin protein was depleted, the symbiont population persisted in the swollen crypts, and vertical symbiont transmission to the next generation occurred. Possible biological roles and evolutionary trajectory of the symbiosis-related mucin protein are discussed.
Optimization of hydropower energy generation by 14 robust evolutionary algorithms
Authors: Sharifi Mohammad Reza , Akbarifard Saeid , Madadi Mohamad Reza , Qaderi Kourosh , Akbarifard Hossein
Published: May 2022

The use of evolutionary algorithms (EAs) for solving complex engineering problems has been very promising, so the application of EAs for optimal operation of hydropower reservoirs can be of great help. Accordingly, this study investigates the capability of 14 recently-introduced robust EAs in optimization of energy generation from Karun-4 hydropower reservoir. The best algorithm is the one that produces the largest objective function (energy generation) and has the minimum standard deviation (SD), the minimum coefficient of variations (CV), and the shortest time of CPU usage. It was found that the best solution was achieved by the moth swarm algorithm (MSA), with the optimized energy generation of 19,311,535 MW which was 65.088% more than the actual energy generation (11,697,757). The values of objective function, SD and CV for MSA were 0.147, 0.0029 and 0.0192, respectively. The next ranks were devoted to search group algorithm (SGA), water cycle algorithm (WCA), symbiotic organism search algorithm (SOS), and coyote optimization algorithm (COA), respectively, which have increased the energy generation by more than 65%. Some of the utilized EAs, including grasshopper optimization algorithm (GOA), dragonfly algorithm (DA), antlion optimization algorithm (ALO), and whale optimization algorithm (WOA), failed to produce reasonable results. The overall results indicate the promising capability of some EAs for optimal operation of hydropower reservoirs.
Parallel MR image reconstruction based on triple cycle optimization
Authors: Sheng Jinhua , Yin Jie , Wang Luyun , Yang Xiaofan , Huang Pu
Published: May 2022

The self-calibration parallel imaging (SC-SENSE) method reconstructs the image by estimating the coil sensitivity matrix. In order to obtain the sensitivity matrix, it is necessary to take a small amount of automatic calibration signal lines (ACSL) in the center of k-space. This method uses the data of the central region to obtain the sensitivity matrix, and then the reconstructed image is obtained. This paper proposed the triple cycle optimization (TCO) method to continuously optimize reconstructed images. The proposed TCO method takes the sensitivity matrix obtained by ACSL and substituted the reconstructed image as the initial data generation into the loop, and estimates the k-space data repeatedly. A new sensitivity matrix is obtained by using k-space data and the reconstructed image, and a stable triple cycle is obtained. In the cycle, all data are optimized to a certain extent, including the reconstructed image. Experimental results show that under the same sampling density, images reconstructed by using the triple cycle optimization method have lower noise and artifacts than those of the traditional method. When combined with the variable density sampling method, the effect is remarkable with a much low sampling rate.
Experimental study on ultrasonic irradiation for enhancing coalbed methane recovery
Authors: Ding Xin , Hou Jing , Xiao Xiaochun
Published: May 2022

The present study proposes the use of a new ultrasonic irradiation method to enhance permeability and desorption for gas recovery from low-permeability coal reservoirs. A triaxial stress ultrasonic irradiation test apparatus was developed specifically for coal, considering the properties of gas adsorption, migration, and sound intensity, and providing a simultaneous measurement of gas flux, to investigated the deformation and temperature of coal samples obtained from the Fuxin coal field by permeability and desorption experiments. With the ultrasonic irradiation duration, the permeability of coal improved gradually with unequal variation, accompanied by the Klinkenberg effect where it decreased rapidly and then increased slowly with increasing gas pressure. The ability to desorb coal was enhanced by higher sound intensity ultrasound irradiation, and the volume of gas desorption was much greater than that of the sample without mange, the temperature and strain were demonstrated as a “J shaped” curve. An X-ray computer tomography (CT) technique was used to visualise the meso- or macro-cracks in the coal sample at pre- and post- ultrasonic irradiation, consequently, fractures expanded under the irradiation of ultrasonic waves. A permeability and desorption model was developed to describe the improvement of coal seam gas production capacity under ultrasonic irradiation, which introduced effective sound pressure.
Urban blue–green space landscape ecological health assessment based on the integration of pattern, process, function and sustainability
Authors: Song Shuang , Wang Shaohan , Shi Mengxi , Hu Shanshan , Xu Dawei
Published: May 2022

Landscape ecological health (LEH) assessment of blue–green space is vital for the management and restoration of the urban environment. At present, existing LEH assessment research has mainly focused on the single measurement of landscape pattern or external ecological service function, ignoring the effect mechanism. Moreover, there is a lack of targeted assessment of urban blue–green space LEH. In this study, we constructed an urban blue–green space LEH assessment framework based on the integration of pattern, process, function and sustainability, and conducted an empirical analysis in Harbin, a megacity in Northeastern China. The results showed that the spatial changes in the four assessment units of landscape ecological pattern, process, function and sustainability were not coordinated in the study area. From 2011 to 2020, the overall condition of blue–green space LEH in the study area improved but still at an unhealthy level, and the spatial difference increased. Grassland, water and wetland suffered from the widespread degradation of LEH in the study area, and the LEH level improvement type had the largest area proportion, and the stabilization type had the smallest. Moreover, based on the spatial autocorrelation analysis, we clarified the LEH spatial correlation characteristics of the study area and proposed targeted optimization suggestions. Our assessment framework will extend the LEH assessment scope and methodology, and the research results can provide significant references for urban blue–green space protection and management.
Effects of bone turnover status on the efficacy and safety of denosumab among haemodialysis patients
Authors: Hori Mayuko , Yasuda Kaoru , Takahashi Hiroshi , Kondo Chika , Shirasawa Yuichi , Ishimaru Yuka , Sekiya Yuka , Morozumi Kunio , Maruyama Shoichi
Published: May 2022

Denosumab is reported to increase bone mineral density (BMD) among haemodialysis patients; however, hypocalcaemia is a serious adverse effect among chronic kidney disease (CKD) patients. Identifying which patients will show greater improvement in BMD is important. We enrolled 84 haemodialysis patients with osteoporosis in our study. 28 patients initiated denosumab treatment between October 2019 and October 2020. We assessed BMD changes and investigated the association between baseline bone turnover marker (BTM) levels and 6-month changes in BMD after denosumab treatment. BMD was increased at 6 months in denosumab-treated patients compared with patients not treated with denosumab (lumbar spine: 5.34% vs. − 0.49%; total hip: 2.43% vs. − 0.47%). Bone-specific alkaline phosphatase (BAP) and tartrate-resistant acid phosphatase-5b (TRACP-5b) at baseline were independently associated with increased BMD in the total hip (BAP: β = 0.472, p value = 0.004; TRACP-5b: β = 0.433, p value = 0.008) and lumbar spine (BAP: β = 0.591, p value = 0.001; TRACP-5b: β = 0.613, p value = 0.0008). BAP and TRACP-5b were also independent predictors of hypocalcaemic events (OR [95% CI] 1.747 [1.084–4.604] and 1.006 [1.000–1.015], respectively). BTMs may be associated with increased BMD and hypocalcaemic events after denosumab treatment. BTM measurement may be useful for assessing the effect of denosumab on BMD; however, careful monitoring of serum calcium levels is needed.
Effect of self-managed lifestyle treatment on glycemic control in patients with type 2 diabetes
Authors: Dwibedi Chinmay , Mellergård Emelia , Gyllensten Amaru Cuba , Nilsson Kristoffer , Axelsson Annika S. , Bäckman Malin , Sahlgren Magnus , Friend Stephen H. , Persson Sofie , Franzén Stefan , Abrahamsson Birgitta , Carlsson Katarina Steen , Rosengren Anders H.
Published: May 2022

The lack of effective, scalable solutions for lifestyle treatment is a global clinical problem, causing severe morbidity and mortality. We developed a method for lifestyle treatment that promotes self-reflection and iterative behavioral change, provided as a digital tool, and evaluated its effect in 370 patients with type 2 diabetes (ClinicalTrials.gov identifier: NCT04691973). Users of the tool had reduced blood glucose, both compared with randomized and matched controls (involving 158 and 204 users, respectively), as well as improved systolic blood pressure, body weight and insulin resistance. The improvement was sustained during the entire follow-up (average 730 days). A pathophysiological subgroup of obese insulin-resistant individuals had a pronounced glycemic response, enabling identification of those who would benefit in particular from lifestyle treatment. Natural language processing showed that the metabolic improvement was coupled with the self-reflective element of the tool. The treatment is cost-saving because of improved risk factor control for cardiovascular complications. The findings open an avenue for self-managed lifestyle treatment with long-term metabolic efficacy that is cost-saving and can reach large numbers of people.
A framework for multiplex imaging optimization and reproducible analysis
Authors: Eng Jennifer , Bucher Elmar , Hu Zhi , Zheng Ting , Gibbs Summer L. , Chin Koei , Gray Joe W.
Published: May 2022

Multiplex imaging technologies are increasingly used for single-cell phenotyping and spatial characterization of tissues; however, transparent methods are needed for comparing the performance of platforms, protocols and analytical pipelines. We developed a python software, mplexable, for reproducible image processing and utilize Jupyter notebooks to share our optimization of signal removal, antibody specificity, background correction and batch normalization of the multiplex imaging with a focus on cyclic immunofluorescence (CyCIF). Our work both improves the CyCIF methodology and provides a framework for multiplexed image analytics that can be easily shared and reproduced.
Importance of the ligand-to-metal charge transfer (LMCT) pathway in the photocatalytic oxidation of arsenite by TiO2
Authors: Yu Si-Yuan , Liu Ying , Ren Hai-Tao , Liu Zhao-Yu , Han Xu
Published: May 2022

The As(iii)–O–Ti(iv) surface complexes formed on TiO2, as well as the decreased band gaps of TiO2 with increasing concentrations of As(iii) indicate that the LMCT pathway contributes to the oxidation of As(iii) under alkaline conditions.
Various bond interactions between NO and anionic gold clusters: a theoretical calculation
Authors: Liu Wen , Huang Lulu , Hu Jin , Xing Xiaopeng
Published: May 2022

Theoretical calculations indicate that the bond patterns between NO and Aun− (n = 1–20) can be classified as dative covalent bonds, electrostatic interactions, and polar covalent bonds, which are consistent with the previous experimental observations.
Ether-based electrolytes for sodium ion batteries
Authors: Li Ying , Wu Feng , Li Yu , Liu Mingquan , Feng Xin , Bai Ying , Wu Chuan
Published: May 2022

This review summarizes the development history, basic characteristics, special co-intercalation mechanism, origin of the superior performance of ether-based electrolytes in sodium-ion batteries and their advancements in other batteries.
Sorptive removal versus catalytic degradation of aqueous BTEX: a comprehensive review from the perspective of life-cycle assessment
Authors: Vellingiri Kowsalya , Choudhary Vaishali , Kumar Sumit , Philip Ligy
Published: May 2022

Benzene, toluene, ethylbenzene, and xylene (BTEX) are commonly encountered as industrial contaminants.
Photoelectrochemical sandwich immunoassay of CYFRA21-1 based on In2O3/WO3type-II heterojunction and CdS quantum dots-polydopamine nanospheres labeling
Authors: Liu Luyao , Sun Chenglong , Liu Jialin , Du Yun , Xie Qingji
Published: May 2022

An effective coupling of an In2O3/WO3type-II heterojunction with CdS quantum dots-polydopamine nanospheres labeling achieves the high-performance photoelectrochemical sandwich immunoassay of CYFRA21-1.
A plasmon resonance-inspired discriminator unscrambles lipoprotein subtypes
Authors: Cao Jianfang , Shuai Mingshu , Shu Yang , Wang Jianhua
Published: May 2022

The identification of lipoprotein subtypes and other proteins based on the PSS-AuNR plasmon resonance discriminator platform.
Study on the activity of Huo–Xue–Hua–Yu decoction and its drug groups in improving fracture healing using surface-enhanced Raman scattering (SERS) spectroscopy based on gold nanoparticles
Authors: Chen Weiwei , Li Xiaobo , Xu Shangwen , Chen Qin , Zhang Zhongping , Yuan Decai , Wei Guoqiang , Huang Hao , Li Xihai , Yu Yun
Published: May 2022

The SERS technique has great potential for providing a novel method for effectively and accurately studying the efficacy of the Huo–Xue–Hua–Yu decoction and its drug groups in improving fracture healing.
Chalcogen-based ratiometric reversible BODIPY redox sensors for the determination of enantioselective methionine sulfoxide reductase activity
Authors: Poljak Michal , Wohlrábová Lucie , Palao Eduardo , Nociarová Jela , Míšek Jiří , Slanina Tomáš , Klán Petr
Published: May 2022

A series of sulfur- and selenium-substituted BODIPY derivatives are introduced as reversible ratiometric turn-on/off redox sensors for ROS and enzymatic redox processes.
The effect of hydrogen bonding on the reactivity of OH radicals with prenol and isoprenol: a shock tube and multi-structural torsional variational transition state theory study
Authors: Mohamed Samah Y. , Monge-Palacios M. , Giri Binod R. , Khaled Fethi , Liu Dapeng , Farooq Aamir , Sarathy S. Mani
Published: May 2022

The reaction between prenol and isoprenol and the OH radical can proceed via OH addition to the double bond or by hydrogen abstraction. The branching ratios are governed by the intermolecular interactions between the reactants and multi-structural torsional anharmonicity.
Misconceptions about the chemistry of aqueous chlorine atoms and HClOH˙(aq), and a revised mechanism for the photochemical peroxydisulfate/chloride reaction
Authors: Stanbury David M.
Published: May 2022

The many published reaction mechanisms invoking aqueous HClOH˙ as well as Cl˙ usually violate the principle of detailed balancing and should be written in terms of just Cl˙.
FeP2 monolayer: isoelectronic analogue of MoS2 with excellent electronic and optical properties
Authors: Yan Chen , Yi Jiuqi , Li Dan , Xu Chang , Cheng Longjiu
Published: May 2022

The FeP2 monolayer is investigated as an isoelectronic analogue of MoS2 with excellent electronic and optical properties, and can be used as an anode for K-ion batteries.
Combination of multiple methods and views for recognition, transportation, and structure-guided modification of lysine-specific demethylase phenylcyclopropylamine inhibitor
Authors: Liu Xiaoyuan , Zhang Zhiyang , She Nai , Zhai Jihang , Zhao Yuan , Wang Chaojie
Published: May 2022

Combination of multiple methods and views for recognition, transportation, structural-guided modification of lysine-specific demethylase phenylcyclopropylamine inhibitor.
Hydrogen bond redistribution effects in mixtures of protic ionic liquids sharing the same cation: non-ideal mixing with large negative mixing enthalpies
Authors: Golub Benjamin , Ondo Daniel , Overbeck Viviane , Ludwig Ralf , Paschek Dietmar
Published: May 2022

We report a joint experimental and theoretical study of the hydrogen bond redistribution in mixtures of two protic ionic liquids sharing the same cation: triethylammonium–methanesulfonate and triethylammonium–trifluoromethanesulfonate.
Singlet oxygen quenching as a probe for cytochrome c molten globule state formation
Authors: Hovan Andrej , Sedláková Dagmar , Berta Martin , Bánó Gregor , Sedlák Erik
Published: May 2022

Singlet oxygen quenching is sensitive to the exposure of heme to the solvent.
Atomic-scale changes of silica-supported catalysts with nanocrystalline or amorphous gallia phases: implications of hydrogen pretreatment on their selectivity for propane dehydrogenation
Authors: Castro-Fernández Pedro , Serykh Alexander I. , Yakimov Alexander V. , Prosvirin Igor P. , Bukhtiyarov Andrey V. , Abdala Paula M. , Copéret Christophe , Fedorov Alexey , Müller Christoph R.
Published: May 2022

We explore how H2 pretreatment changes the structure of two gallia-based propane dehydrogenation catalysts, viz. crystalline γ/β-Ga2O3 and amorphous Ga2O3 supported on silica, and how it affects their activity, selectivity and stability on stream.
The migration of Zn species on Zn/ZSM-5 catalyst during the process of ethylene aromatization
Authors: Geng Rui , Liu Yacong , Gao Jie , Guo Yanxia , Dong Mei , Wang Sen , Fan Weibin , Wang Jianguo , Qin Zhangfeng
Published: May 2022

The Zn species in the Zn/ZSM-5 catalyst undergo reciprocal transformation of ZnO clusters and ZnOH+ during the ethylene aromatization process. They then migrate to form large-grain ZnO on the outer surface, and finally lost as Zn vapor.
Designing supercapacitor electrolyte via ion counting
Authors: Jayaraman Shrisudersan , Rawson Travis J. , Belyustina Marina A.
Published: May 2022

Developed a theoretical framework coupled with experiments to establish two necessary and sufficient conditions for supercapacitor design. The conditions impose constraints that aid material, process and design innovations.
Strategies in cell design and operation for the electrosynthesis of ammonia: status and prospects
Authors: Bi Wei , Shaigan Nima , Malek Ali , Fatih Khalid , Gyenge Előd , Wilkinson David P.
Published: May 2022

Our review manuscript based on 190 references gives a status update regarding all the cell design types currently in use, and discusses the impact of diverse cell components (cathode catalyst layer, membrane, electrodes) and operating conditions on NH3electrosynthesis.
Chemical and electronic structure of the heavily intermixed (Cd,Zn)S:Ga/CuSbS2 interface
Authors: Hartmann C. , Brandt R. E. , Baranowski L. L. , Köhler L. , Handick E. , Félix R. , Wilks R. G. , Zakutayev A. , Buonassisi T. , Bär M.
Published: May 2022

Hard X-ray photoelectron spectroscopy reveals the (Cd,Zn)S:Ga/CuSbS2 thin-film solar cell interface to be heavily intermixed resulting in a ‘cliff’-like conduction band offset.
Structural characterization ofPoria cocosoligosaccharides and their effects on the hepatic metabolome in high-fat diet-fed mice
Authors: Zhu Lin , Chen Guangming , Guo Yanlei , Zheng Junping , Yang Huabing , Sun Xiongjie , Liu Yang , Hu Baifei , Liu Hongtao
Published: May 2022

In this study, novelPoria cocosoligosaccharides (PCO) were prepared by enzymatic degradation, and their polymerization degree was determined to be 2–6 by LC-MS analysis.
Mycelium polysaccharides of Macrolepiota procera alleviate reproductive impairments induced by nonylphenol
Authors: Wang Wenshuai , Li Xiaoxu , Zhang Yaohan , Zhang Jianjun , Jia Le
Published: May 2022

Mycelium polysaccharides of Macrolepiota procera (MMP) had positive role in amelioration of NP-induced reproductive disorders.
Mechanochemical Fischer indolisation: an eco-friendly design for a timeless reaction
Authors: Porcheddu Andrea , Mocci Rita , Brindisi Margherita , Cuccu Federico , Fattuoni Claudia , Delogu Francesco , Colacino Evelina , D'Auria Maria Valeria
Published: May 2022

We developed an environmentally friendly mechanochemical protocol to induce an effective Fischer indolisation to synthesize indoles and indolines taking advantage of oxalic acid and dimethylurea.
Discovery of 2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one derivatives as possible antileishmanial agents
Authors: Seth Anuradha , Ghoshal Anirban , Dewaker Varun , Rani Ankita , Singh Sangh Priya , Dutta Mukul , Katiyar Shivani , Singh Sandeep Kumar , Rashid Mamunur , Wahajuddin Muhammad , Kar Susanta , Srivastava Ajay Kumar
Published: May 2022

A series of uniquely functionalized 2,3,-dihydro-1H-pyyrolo[3,4-b]quinolin-1-one derivatives were synthesized in one to two steps by utilizing a post-Ugi modification strategy and were evaluated for antileishmanial efficacy against visceral leishmaniasis (VL).
Synthesis, structural insights, and biological screening of DNA targeted Ru(ii)(η6-p-cymene) complexes containing bioactive amino-benzothiazole ligand scaffolds
Authors: Akhter Suffora , Rehman Abdur , Abidi S. M. A. , Arjmand Farukh , Tabassum Sartaj
Published: May 2022

Two new drug candidates [Ru(p-cymene)(C7H4ClN2S)Cl2] and [Ru(p-cymene)(C7H5FN2S)Cl2] were synthesized and characterised. The in vitro cytotoxic activity of the complexes was assessed against five human cancer cell lines and anthelmintic activity was also investigated.
Synthesis and characterization of novel poly(sulfone siloxane)s with good solubility and recyclability based on siloxane units
Authors: Xu Yunfan , Guo Mengdong , Lu Shilong , Wei Zengyue , Feng Shengyu
Published: May 2022

A controllable circulation between poly(sulfone siloxane)s (PSS) and sulfone-containing cyclosiloxane monomers (SCS) was acheived in the presence of KHSO4.
MOF-derived ZnS/NC yolk–shell composites for highly reversible lithium storage
Authors: Wang Ping , Jiang Yan , Cao Yuanyuan , Wu Xiaojuan , Liu Xiang
Published: May 2022

Yolk–shell structured ZnS/NC dodecahedra hybrids are used as anodes of lithium-ion batteries, which exhibit improved Li-ion storage behaviors originating from the synergistic effect of the ZnS nanocrystallites and nitrogen-doped carbon framework.
Anion-induced two stable isostructural Cd(ii) LMOFs based on benzotriazole with the highly selective detection of Fe3+ ions
Authors: Shao Juan-Juan , Ni Jian-Ling , Mensah Abraham , Liang Yu , Li Guang-Jun , Chen Li-Zhuang , Wang Fang-Ming
Published: May 2022

Two new LMOFs, [Cd9(BTA)6(5-tbuip)6O2]n (LMOF-1) and [Cd3(BTA)2(5-tbuip)2]n (LMOF-2), show strong luminescence, and LMOF-1 can detect Fe3+ with a very large quenching coefficient, indicating its potential application in chemical sensors.
Facile synthesis of Au@palladium oxide nano-sunflowers for ultrasensitive surface-enhanced Raman scattering analysis
Authors: Zhao Chunxue , Yu Haihong , Liu Zhiming , Chen Haolin , Ma Xiao , Chen Yiqiao , Liu Ao , Zhong Huiqing , Guo Zhouyi
Published: May 2022

Au@palladium oxide nano-sunflowers are fabricated for ultrasensitive surface-enhanced Raman scattering analysis.
Graphene in situ composite metal phthalocyanines (TN-MPc@GN, M = Fe, Co, Ni) with improved performance as anode materials for lithium ion batteries
Authors: Tao Lihong , Chen Jun , Zhao Jianjun , Dmytro Sydorov , Zhang Qian , Zhong Shengwen
Published: May 2022

In view of the disadvantage of the limited active site utilization due to the easy aggregation of phthalocyanine compounds, three kinds of graphene composite metal phthalocyanines (TN-MPc@GN, M = Fe, Co, Ni) were prepared using an in situ composite method, and their electrochemical properties were investigated as anode materials for lithium-ion batteries.
XPS as a probe for the bonding nature in metal acetates
Authors: Pérez O. , Odio O. F. , Reguera E.
Published: May 2022

XPS appears to be an excellent probe for exploring the coordination chemistry in metal acetates.
Color-tuning and manipulation of the aggregation-induced emission efficiency of o-carborane-tetraphenylethylene dyads through substituted o-carboranes
Authors: Zhu Miao , Zhou Qin , Cheng He , Meng Zhihao , Xiang Li , Sha Ye , Yan Hong , Li Xiang
Published: May 2022

By changing the 2-R substituents of carborane, absolute solid state fluorescence quantum yields of TPE derivatives ranging from 18% to 91% were obtained. The emission colors show a clear shift from blue to red with a maximum red shift of 239 nm.
In situ nanoscale imaging reveals self-concentrating nanomolar antimicrobial pores
Authors: Hammond Katharine , Moffat Jonathan , Mulcahy Chris , Hoogenboom Bart W. , Ryadnov Maxim G.
Published: May 2022

Bacteriocins self-concentrate in bacterial membranes and porate them at nanomolar concentrations.
The effects of molecular weight dispersity on block copolymer self-assembly
Authors: Buckinx Axel-Laurenz , Rubens Maarten , Cameron Neil R. , Bakkali-Hassani Camille , Sokolova Anna , Junkers Tanja
Published: May 2022

The influence of dispersity in the molecular weight distributions in the core forming block for block copolymer (BCP) self-assembly is analyzed via an automated flow synthesis approach.
Tailor-made urethane-linked alkyl-celluloses: a promising stabilizer for oil-in-oil Pickering emulsions
Authors: Tan Jiaojun , Ruan Shaowei , Zhang Meiyun , He Hui , Song Shunxi , Yang Bin , Nie Jingyi , Zhang Qiuyu
Published: May 2022

A series of urethane-linked alkyl-cellulose was efficiently fabricated and served as a  promising stabilizer for oil-in-oil Pickering emulsions.
Orthogonally grown polycarbonate and polyvinyl block copolymers from mechanistically distinct (co)polymerizations
Authors: Patil Naganatha , Gnanou Yves , Feng Xiaoshuang
Published: May 2022

Mechanistically distinct polymerization systems can afford unique block copolymers that would not be accessible by mere sequential polymerization.
Ni and Fe catalyzed cascade radical reactions of oxime esters with diselenides
Authors: Liu Linpeng , Jian Yanyu , Hu Weigao , Zhao Shaohu , Shi Zhang-Jie , Selander Nicklas , Zhou Taigang
Published: May 2022

A radical cyclization and ring-opening of oxime esters with diselenides was developed.
An innovative electrochemical immuno-platform towards ultra-sensitive monitoring of 2-arachidonoyl glycerol in samples from rats with sleep deprivation: bioanalysis of endogenous cannabinoids using biosensor technology
Authors: Kohansal Fereshteh , Mobed Ahmad , Ansari Rana , Hasanzadeh Mohammad , Ahmadalipour Ali , Shadjou Nasrin
Published: May 2022

A novel electrochemical immunosensor based gold nanoparticles for the sensitive recognition of 2-AG was introduced.
Colossal in-plane magnetoresistance ratio of graphene sandwiched with Ni nanostructures
Authors: Wicaksono Yusuf , Harfah Halimah , Sunnardianto Gagus Ketut , Majidi Muhammad Aziz , Kusakabe Koichi
Published: May 2022

In this study, we present a theoretical study on the in-plane conductance of graphene partially sandwiched between Ni(111) nanostructures with a width of ∼12.08 Å.
Impact of sp2 carbon material species on Pt nanoparticle-based electrocatalysts produced by one-pot pyrolysis methods with ionic liquids
Authors: Yao Yu , Xiao Qingning , Kawaguchi Masafumi , Tsuda Tetsuya , Yamada Hirohisa , Kuwabata Susumu
Published: May 2022

The impact of sp2 carbon material species on the ORR performance of electrocatalysts prepared through the one-pot pyrolysis method with an ionic liquid was revealed by the combination of several commonly used analytical approaches.
Ti3C2 MXene-anchored photoelectrochemical detection of exosomes by in situ fabrication of CdS nanoparticles with enzyme-assisted hybridization chain reaction
Authors: Qiu Zhenli , Fan Dechun , Xue XiangHang , Zhang Jiayi , Xu Jiaolin , Lyu Haixia , Chen Yiting
Published: May 2022

An enzyme-assisted photoelectrochemical (PEC) biosensor was established for quantification of exosomes based on the in situ synthesis of Ti3C2 MXene/CdS composites with magnetic separation technology and hybridization chain reaction (HCR).
Structure–activity correlation of thermally activated graphite electrodes for vanadium flow batteries
Authors: Lindner Adrian , Radinger Hannes , Scheiba Frieder , Ehrenberg Helmut
Published: May 2022

Structural changes on the surface of graphite felts after thermal activation were monitored. Fundamental correlations led to a new model to explain the morphological evolution and its effects on the electrocatalytic activity in vanadium flow batteries.
An electric field-based approach for quantifying effective volumes and radii of chemically affected space
Authors: Mroz Austin M. , Davenport Audrey M. , Sterling Jasper , Davis Joshua , Hendon Christopher H.
Published: May 2022

Computing atomic and molecular volumes from DFT and ab initio-based electric fields.
3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry
Authors: Kochetygov Ilia , Justin Anita , Asgari Mehrdad , Yang Shuliang , Karve Vikram , Schertenleib Till , Stoian Dragos , Oveisi Emad , Mensi Mounir , Queen Wendy L.
Published: May 2022

A new MOF with a saturated N-heterocyclic carbene ligand undergoes a series of structural transformations to produce a turbostratic material, which serves as a better support for an iridium hydrogenation catalyst, when compared to the parent material.
Catalytic intramolecular aminoarylation of unactivated alkenes with aryl sulfonamides
Authors: Noten Efrey A. , McAtee Rory C. , Stephenson Corey R. J.
Published: May 2022

A photochemical assembly of cyclic arylethylamines occurs by cascade radical annulation and desulfonylative rearrangement in N-acyl sulfonamides. This aminoarylation is made possible through judicious design intended to thwart undesired reactivity.
Biohybrid photosynthetic charge accumulation detected by flavin semiquinone formation in ferredoxin-NADP+reductase
Authors: Utschig Lisa M. , Brahmachari Udita , Mulfort Karen L. , Niklas Jens , Poluektov Oleg G.
Published: May 2022

One electron at a time, photosynthetic biohybrids enable charge accumulationviathe flavin semiquinone of ferredoxin-NADP+reductase.
Halogen bonding and chalcogen bonding mediated sensing
Authors: Hein Robert , Beer Paul D.
Published: May 2022

Sigma–hole mediated detection of anions is rapidly emerging as a new paradigm in supramolecular sensor chemistry. Herein, we provide an overview of this field including halogen bonding and chalcogen bonding optical, electrochemical and other sensors.
Catch and release strategy of matrix metalloprotease aptamers via thiol–disulfide exchange reaction on a graphene based electrochemical sensor
Authors: Mishyn Vladyslav , Aslan Merve , Hugo Adrien , Rodrigues Teresa , Happy Henri , Sanyal Rana , Knoll Wolfgang , Baudoux Florence , Bouchiat Vincent , Bilyy Rostyslav O. , Boukherroub Rabah , Sanyal Amitav , Szunerits Sabine
Published: May 2022

Matrix metalloproteases (MMP) sensing in wound fluids using 1-pyrene pyridyl disulphide modified GFETs in a catch-release approach is discussed.
Reshaping sub-millimetre bubbles from spheres to tori
Authors: Zhang Xujun , Jacobeen Shane , Zhang Qiang , Khau Brian , Yunker Peter , Qi H. Jerry , Bhamla Saad , Russo Paul S.
Published: May 2022

Manipulating air pressure above suspensions of sub-millimetre, protein-coated bubbles converts them from rods to lollipops to smooth spheres to tori. The sphere-to toroid transition can be reversed at least 4 times.
A facile method for grafting functional hydrogel films on PTFE, PVDF, and TPX polymers
Authors: Fischer Thorsten , Tenbusch Jan , Möller Martin , Singh Smriti
Published: May 2022

In this work we show a simple, one step process of grafting highly hydrophilic hydrogel layer on chemically inert polymers. This applied method has a potential to form the basis for advanced biocompatible and biofunctional surface engineering.
Molecular engineering of covalent triazine frameworks for highly enhanced photocatalytic aerobic oxidation of sulfides
Authors: Wu Bang , Liu Yang , Zhang Yongxia , Fan Li , Li Qiu-Yan , Yu Zhiying , Zhao Xinsheng , Zheng Yong-Chao , Wang Xiao-Jun
Published: May 2022

By integrating various electron-donating units into CTFs, their photophysical and photochemical properties can be facilely modulated to achieve an enhanced performance for photocatalytic selective oxidation of sulfides to sulfoxides.
Recyclable and CO2-retardant Zn–air batteries based on CO2-decorated highly conductive cellulose electrolytes
Authors: Liu Qinbo , Ou Xu , Li Legeng , Wang Xiang , Wen Jin , Zhou Yingjie , Yan Feng
Published: May 2022

Recyclable and CO2-retardant cellulose as electrolyte for Zn–air batteries was achieved via the the decoration of CO2 on its side chains by ionization at the expense of entropy.
Rational construction of polycystine-based nanoparticles for biomedical applications
Authors: Chen Jinjin , Yang Jiazhen , Ding Jianxun
Published: May 2022

This review summarizes the development of reduction-responsive disulfide-crosslinked PCys2-based nanoparticles through one-pot polymerization, post-polymerization modification, and post-polymerization self-assembly for biomedical applications.
Design and synthesis of phosphating bimetallic CeCo-MOF for substantially improved photocatalytic hydrogen evolution
Authors: Li Teng , Zhang Lijun , Li Xiaohong , Wang Xuanpu , Jin Zhiliang
Published: May 2022

A bimetallic CeCo-MOF material was prepared by a one-pot thermal method, and a composite catalyst CeCo1 : 2/P with close interfacial contact was obtained by phosphating treatment using the bimetallic CeCo-MOF as a template.
A mixed solvent strategy enabling efficient all-solution-processed perovskite light-emitting diodes
Authors: Shi Xingyu , Zhang Jianfeng , Kong Lingmei , Wang Lin , Dou Yongjiang , Wang Sheng , Li Wenqiang , Zhang Xiaoyu , Yan Limin , Yang Xuyong
Published: May 2022

We report a mixed solvent strategy for depositing an electron transport layer of solution-processed perovskite light-emitting diodes (PeLEDs), which achieves a champion external quantum efficiency of 4.76% in all-solution-processed PeLEDs.
Ultralong room temperature phosphorescence and ultraviolet fluorescence from simple triarylphosphine oxides
Authors: Jena Satyam , Munthasir Akkarakkaran Thayyil Muhammed , Thilagar Pakkirisamy
Published: May 2022

Ultralong room temperature phosphorescence of simple triarylphosphine oxides is reported. The lone pair electrons on the P in triarylphosphines facilitate faster intersystem crossing than those on the O of the P=O moiety in triarylphosphine oxides.