bluuebunny/crossref_metadata_2025 huggingface dataset:
Study on the ability of indoor plants to absorb and purify benzene pollution
Authors: Li Donghe , Wang Han , Gao Qingyu , Lu Min
Published: June 2024

The ability of indoor plants to purify benzene pollution is the basic basis for the selection of plants for ecological remediation of indoor benzene pollution. In this study, the purification rate and the purification amount per unit leaf area of 13 test plants at three benzene concentrations were determined by indoor fumigation experiments, and the benzene absorption and purification abilityability of indoor plants were comprehensively evaluated. The results showed that (1) there was a significant correlation between benzene concentration and purification rate and purification amount per unit leaf area. (2) At the three concentrations, Spathiphyllum floribundum showed the highest purification rate and Sansevieria trifasciata var. laurentii showed the highest purification per unit leaf area. (3) The combined results showed that Sansevieria trifasciata var. laurentii, Spathiphyllum floribundum and Aloe arborescens were the strongest absorbers and purifiers, while Podocarpus nagi and Anthurium andraeanum ‘Pink champin’ had the weakest absorption and purification capacity. The results of this study provide a theoretical basis and reference for the selection of plants with strong capacities to adsorb and purify benzene pollution in indoor air.
Saccharomyces boulardii combined with triple therapy alter the microbiota in the eradication of Helicobacter pylori infection
Authors: Zhang Yan , Lu Bingyun , Dong Yu , Zhang Yifeng , Du Qianming , Chen Ye , Zhang Zhenyu
Published: June 2024

To assess the effectiveness and safety of combining Saccharomyces boulardii powder with triple therapy as a primary approach for eradicating H. pylori infection, a total of 144 patients who tested positive for H. pylori and diagnosed with non-ulcer dyspepsia underwent endoscopy at two national centers between June 2017 and March 2019 were included. The patients were categorized into three groups using a subsection randomization method and received initial H. pylori eradication treatments. Microbial composition, eradication rates, symptom alleviation, and adverse reactions were monitored on the 14th and 44th days post-treatment. According to PP analysis showed the eradication rates for the SRAC group was 75%, BRAC was 93.18% and RAC was 65.2%. Group BRAC exhibited a marginally higher eradication rate compared to other groups. However, patients receiving Saccharomyces boulardii treatment exhibited an overall reduction in initial dyspepsia symptoms by the end of the treatment period. When employed as a primary strategy, the combination of Saccharomyces boulardii powder with triple therapy displayed notable efficacy and smaller gastrointestinal side effects in eradicating initial H. pylori infections among non-ulcer dyspepsia patients. Moreover, this approach demonstrated advantages in alleviating symptoms, exhibited favorable tolerance, and maintained a high level of clinical safety.
Assessment of sustainable baits for passive fishing gears through automatic fish behavior recognition
Authors: Abangan Alexa Sugpatan , Bürgi Kilian , Méhault Sonia , Deroiné Morgan , Kopp Dorothée , Faillettaz Robin
Published: June 2024

Low-impact fishing gear, such as fish pots, could help reduce human’s impact on coastal marine ecosystems in fisheries but catch rates remain low and the harvest of resources used for baiting increases their environmental cost. Using black seabreams (Spondyliosoma cantharus) as target species in the Bay of Biscay, we developed and assessed the efficiency of biodegradable biopolymer-based baits (hereafter bio-baits) made of cockles (Cerastoderma edule) and different biopolymer concentrations. Through a suite of deep and machine learning models, we automatized both the tracking and behavior classification of seabreams based on quantitative metrics describing fish motion. The models were used to predict the interest behavior of seabream towards the bait over 127 h of video. All behavior predictions categorized as interested to the bait were validated, highlighting that bio-baits have a much weaker attractive power than natural bait yet with higher activity after 4 h once natural baits have been consumed. We also show that even with imperfect tracking models, fine behavioral information can be robustly extracted from video footage through classical machine learning methods, dramatically lifting the constraints related to monitoring fish behavior. This work therefore offers new perspectives both for the improvement of bio-baits and automatic fish behavior recognition.
Weighted single-step genome-wide association study for direct and maternal genetic effects associated with birth and weaning weights in sheep
Authors: Khazaei-Koohpar Hava , Gholizadeh Mohsen , Hafezian Seyed Hasan , Esmaeili-Fard Seyed Mehdi
Published: June 2024

Body weight is an important economic trait for sheep meat production, and its genetic improvement is considered one of the main goals in the sheep breeding program. Identifying genomic regions that are associated with growth-related traits accelerates the process of animal breeding through marker-assisted selection, which leads to increased response to selection. In this study, we conducted a weighted single-step genome-wide association study (WssGWAS) to identify potential candidate genes for direct and maternal genetic effects associated with birth weight (BW) and weaning weight (WW) in Baluchi sheep. The data used in this research included 13,408 birth and 13,170 weaning records collected at Abbas-Abad Baluchi Sheep Breeding Station, Mashhad-Iran. Genotypic data of 94 lambs genotyped by Illumina 50K SNP BeadChip for 54,241 markers were used. The proportion of variance explained by genomic windows was calculated by summing the variance of SNPs within 1 megabase (Mb). The top 10 window genomic regions explaining the highest percentages of additive and maternal genetic variances were selected as candidate window genomic regions associated with body weights. Our findings showed that for BW, the top-ranked genomic regions (1 Mb windows) explained 4.30 and 4.92% of the direct additive and maternal genetic variances, respectively. The direct additive genetic variance explained by the genomic window regions varied from 0.31 on chromosome 1 to 0.59 on chromosome 8. The highest (0.84%) and lowest (0.32%) maternal genetic variances were explained by genomic windows on chromosome 10 and 17, respectively. For WW, the top 10 genomic regions explained 6.38 and 5.76% of the direct additive and maternal genetic variances, respectively. The highest and lowest contribution of direct additive genetic variances were 1.37% and 0.42%, respectively, both explained by genomic regions on chromosome 2. For maternal effects on WW, the highest (1.38%) and lowest (0.41%) genetic variances were explained by genomic windows on chromosome 2. Further investigation of these regions identified several possible candidate genes associated with body weight. Gene ontology analysis using the DAVID database identified several functional terms, such as translation repressor activity, nucleic acid binding, dehydroascorbic acid transporter activity, growth factor activity and SH2 domain binding.
How plant composition in margins influences the assemblage of pests and predators and its effect on biocontrol in melon fields
Authors: Sanchez Juan Antonio , de Pedro Luis , López-Gallego Elena , Pérez-Marcos María , Ramírez-Soria María José , Perera-Fernández Luis Gabriel , Atenza Joaquín F.
Published: June 2024

Many agricultural landscapes offer few resources for maintaining natural enemy populations and floral plantings have frequently been adopted to enhance biological pest control in crops. However, restored margins may harbour both pests and natural enemies. The aim was to compare the abundance of pests and natural enemies in three types of margins (unmanaged, sown herbaceous floral strips and shrubby hedgerows) as well as in adjacent melon fields. Besides, yield was compared among melon fields as way of testing the effect of the type of margin on biocontrol. The research was carried out during 2 years in twelve melon fields from four different locations in southern Spain. Arthropods were sampled periodically in margins and melon fields by visual inspections and Berlese extraction. Hedgerow and floral strips hosted higher numbers of both pests and predators than unmanaged margins. Besides, hedgerows had a similar or higher number of natural enemies than floral strips but lower number of pests. In just a few occasions, the type of margin had a significant effect on the abundance of pests and natural enemies in melon fields, but rarely there was consistency between the two growing seasons. No differences were found in yield. We hypothesised that the lack of association in the abundances of pests and natural enemies between margins and melon fields could be attributed to the overriding effects of the landscape and/or the internal population dynamics of arthropods in melon fields. Overall, shrubby hedgerows are more recommended than herbaceous floral strips.
Predictive approach for liberation from acute dialysis in ICU patients using interpretable machine learning
Authors: Wang Tsai-Jung , Huang Chun-Te , Wu Chieh-Liang , Chen Cheng-Hsu , Wang Min-Shian , Chao Wen-Cheng , Huang Yi-Chia , Pai Kai-Chih
Published: June 2024

Renal recovery following dialysis-requiring acute kidney injury (AKI-D) is a vital clinical outcome in critical care, yet it remains an understudied area. This retrospective cohort study, conducted in a medical center in Taiwan from 2015 to 2020, enrolled patients with AKI-D during intensive care unit stays. We aimed to develop and temporally test models for predicting dialysis liberation before hospital discharge using machine learning algorithms and explore early predictors. The dataset comprised 90 routinely collected variables within the first three days of dialysis initiation. Out of 1,381 patients who received acute dialysis, 27.3% experienced renal recovery. The cohort was divided into the training group (N = 1135) and temporal testing group (N = 251). The models demonstrated good performance, with an area under the receiver operating characteristic curve of 0.85 (95% CI, 0.81–0.88) and an area under the precision-recall curve of 0.69 (95% CI, 0.62–0.76) for the XGBoost model. Key predictors included urine volume, Charlson comorbidity index, vital sign derivatives (trend of respiratory rate and SpO2), and lactate levels. We successfully developed early prediction models for renal recovery by integrating early changes in vital signs and inputs/outputs, which have the potential to aid clinical decision-making in the ICU.
A note on the seismicity of Sumatra, western Sunda Arc, Indonesia, in relation to the potential for back-arc thrusting
Authors: Widiyantoro S. , Supendi P. , Rawlinson N. , Daryono M. R. , Rosalia S.
Published: June 2024

The existence of back-arc thrust faults along the eastern part of the Sunda Arc, ranging westwards from Flores to the western tip of Java, has been recognised for decades. In contrast, it is still unknown whether such back-arc thrust faults exist in Sumatra, which is located in the western part of the Sunda Arc. To investigate the possible existence of back-arc thrusts in Sumatra, we examine regional earthquake data reported by the Agency for Meteorology, Climatology and Geophysics of Indonesia, as well as global earthquake data reported by the International Seismological Centre and the United States Geological Survey. It appears that back-arc thrusts in the study area are not extensively developed, unlike in the eastern Sunda Arc, which may be caused by oblique subduction beneath the Sumatran forearc. The stress associated with the trench-parallel component of subduction is largely accommodated by the ~ 1650-km-long dextral strike-slip fault zone of the Great Sumatran Fault. The seismicity data from various sources do, however, show that there is a dipping seismogenic zone in several parts of the back-arc region of Sumatra, in the opposite direction to the NNE subduction of the Indo-Australian plate. This new observation may be related to the presence of spatially intermittent back-arc thrust faults in the study area, which may need to be taken into account when improving Indonesia's national earthquake hazard maps.
Social role of the ‘Bow-Wow Patrol’ in urban areas of Japan: a qualitative study
Authors: Hosokawa Yoshino , Ishii Kaori , Shibata Ai , Yako-Suketomo Hiroko , Suko Riki , Oka Koichiro
Published: June 2024

The ‘Bow-Wow Patrol (BWP)’, established to avert local crime by encouraging dog walking, may help build social relationships among individuals through dog walking. However, details of its social influence remain unclear. Thus, this study aimed to elucidate the social roles of BWP in the urban areas of Japan. A total of 18 BWP organisation members from two Tokyo municipalities were recruited using snowball sampling between November 2021 and July 2022. In an interview, participants were asked about their perceptions of changes in their social relationships through the BWP. Qualitative content analysis was conducted after text mining using the KH Coder software. The mean age of the participants was 63.9 years, and 83.3% engaged in BWP 7 days a week. The content analysis revealed six social roles of the BWP: establishment of social networks with schools as the centre, establishment of loose networks inside and outside the BWP organization, enhancement of a sense of trust among neighbours, enhancement of a sense of trust in communities, norms of reciprocity among dog owners, and dog and owner characteristics. This study found that the BWP in urban Japan strengthens social cohesion and expands social networks among dog walkers, encouraging them to continue walking.
Influence of electrodeposition parameters on the fabrication of Ni–Co/SiC + TiN composite films through pulse current electrodeposition
Authors: Cui Tianqi , Cao Mengyu , Li Huaxing , Zhang Yu , Jiang Kedi
Published: June 2024

In this investigation, pulsed current electro-deposition (PCE) was used to prefabricate Ni–Co/SiC + TiN composite coatings (NCSTCCs) on mild steel surfaces. The research focused on the influence of two electrodeposition parameters, pulse frequency (PF) and duty cycle (DC), on NCSTCF features including microscopic surface morphology, crystal orientation, grain size, microhardness, SiC and TiN nanoparticles (NPs), deposition quantity, and corrosion resistance properties. The results indicated that NCSTCCs produced under a 10% DC showed minimal SiC and TiN contents with a percent volume of just 5.6 v/v% and 5.4 v/v% respectively under the fixed condition of 60 Hz PF. However, the three-dimensional surface diagram indicated that the Ni–Co/SiC + TiN composite film deposited at 50% DC and 10 Hz PF displayed the highest SiC and TiN contents (11.6 v/v% and 11.7 v/v%) among all the films. Furthermore, NCSTCCs deposited under 50% DC and 10 Hz PF had peak microhardness at 667.4 kg/mm2, while the composite film achieved a microhardness of 514.1 kg/mm2 when prepared using 10% DC and 60 Hz PF. Moreover, when the DC and PF were at 50% and 10 Hz respectively, the Ni–Co/SiC + TiN composite film presented the maximum charge transfer resistance (4915.7–4927.2 Ω·cm2), indicating an excellent corrosion resistance.
Unravelling the effects of active site density and energetics on the water oxidation activity of iridium oxides
Authors: Liang Caiwu , Rao Reshma R. , Svane Katrine L. , Hadden Joseph H. L. , Moss Benjamin , Scott Soren B. , Sachs Michael , Murawski James , Frandsen Adrian Malthe , Riley D. Jason , Ryan Mary P. , Rossmeisl Jan , Durrant James R. , Stephens Ifan E. L.
Published: June 2024

Understanding what controls the reaction rate on iridium-based catalysts is central to designing better electrocatalysts for the water oxidation reaction in proton exchange membrane electrolysers. Here we quantify the densities of redox-active centres and probe their binding strengths on amorphous IrOx and rutile IrO2 using operando time-resolved optical spectroscopy. We establish a quantitative experimental correlation between the intrinsic reaction rate and the active-state energetics. We find that adsorbed oxygen species, *O, formed at water oxidation potentials, exhibit repulsive adsorbate–adsorbate interactions. Increasing their coverage weakens their binding, thereby promoting O–O bond formation, which is the rate-determining step. These analyses suggest that although amorphous IrOx exhibits a higher geometric current density, the intrinsic reaction rates per active state on IrOx and IrO2 are comparable at given potentials. Finally, we present a modified volcano plot that elucidates how the intrinsic water oxidation kinetics can be increased by optimizing both the binding energy and the interaction strength between the catalytically active states.
Dynamic learning of individual-level suicidal ideation trajectories to enhance mental health care
Authors: Varidel Mathew , Hickie Ian B. , Prodan Ante , Skinner Adam , Marchant Roman , Cripps Sally , Oliveria Rafael , Chong Min K. , Scott Elizabeth , Scott Jan , Iorfino Frank
Published: June 2024

There has recently been an increase in ongoing patient-report routine outcome monitoring for individuals within clinical care, which has corresponded to increased longitudinal information about an individual. However, many models that are aimed at clinical practice have difficulty fully incorporating this information. This is in part due to the difficulty in dealing with the irregularly time-spaced observations that are common in clinical data. Consequently, we built individual-level continuous-time trajectory models of suicidal ideation for a clinical population (N = 585) with data collected via a digital platform. We demonstrate how such models predict an individual’s level and variability of future suicide ideation, with implications for the frequency that individuals may need to be observed. These individual-level predictions provide a more personalised understanding than other predictive methods and have implications for enhanced measurement-based care.
Affective polarization and dynamics of information spread in online networks
Authors: Lerman Kristina , Feldman Dan , He Zihao , Rao Ashwin
Published: June 2024

Members of different political groups not only disagree about issues but also dislike and distrust each other. While social media can amplify this emotional divide—called affective polarization by political scientists—there is a lack of agreement on its strength and prevalence. We measure affective polarization on social media by quantifying the emotions and toxicity of reply interactions. We demonstrate that, as predicted by affective polarization, interactions between users with same ideology (in-group replies) tend to be positive, while interactions between opposite-ideology users (out-group replies) are characterized by negativity and toxicity. Second, we show that affective polarization generalizes beyond the in-group/out-group dichotomy and can be considered a structural property of social networks. Specifically, we show that emotions vary with network distance between users, with closer interactions eliciting positive emotions and more distant interactions leading to anger, disgust, and toxicity. Finally, we show that similar information exhibits different dynamics when spreading in emotionally polarized groups. These findings are consistent across diverse datasets spanning discussions on topics such as the COVID-19 pandemic and abortion in the US. Our research provides insights into the complex social dynamics of affective polarization in the digital age and its implications for political discourse.
Utilization of lysed and dried bacterial biomass from the marine purple photosynthetic bacterium Rhodovulum sulfidophilum as a sustainable nitrogen fertilizer for plant production
Authors: Morey-Yagi Shamitha Rao , Kinoshita Yu , Motoki Ko , Iwahashi Yu , Hanh Dao Duy , Kato Shota , Nakano Ryohei , Ochiai Kumiko , Kobayashi Masaru , Nakazaki Tetsuya , Numata Keiji
Published: June 2024

Plant-based agricultural systems rely heavily on inorganic nitrogen (N) fertilizers to increase yields and ensure food security for the rapidly growing global population. However, the production and overuse of synthetic fertilizers lead to significant amounts of greenhouse gas emissions, causing a critical need for the development of alternative and sustainable organic N fertilizers. Here, we demonstrate the effective use of lysed and dried bacterial biomass from the marine purple photosynthetic bacterium Rhodovulum sulfidophilum as an alternative source of N fertilizer for the cultivation of Japanese mustard spinach (komatsuna, Brassica rapa var. perviridis). To assess the suitability of this processed bacterial biomass, containing approximately 11% N, as a N fertilizer, we examined the effects of its application on plant germination and growth (measured by leaf chlorophyll, maximum leaf length, and dry weight) under two different temperature regimes, comparing it to that of a conventional N-containing mineral fertilizer. Application at rates up to four times that of the mineral fertilizer had no negative effects on seed germination and plant growth. The bacterial biomass had to be applied at approximately twice the rate of mineral fertilizer to obtain similar plant growth parameters, roughly corresponding to the predicted 62% rate of mineralization of the bacterial N. Our findings confirm the ability of plants to take up N from the lysed and dried biomass of marine purple photosynthetic bacteria, demonstrating the potential for using R. sulfidophilum as a source of N fertilizer.
DLG1 functions upstream of SDCCAG3 and IFT20 to control ciliary targeting of polycystin-2
Authors: Rezi Csenge K , Aslanyan Mariam G , Diwan Gaurav D , Cheng Tao , Chamlali Mohamed , Junger Katrin , Anvarian Zeinab , Lorentzen Esben , Pauly Kleo B , Afshar-Bahadori Yasmin , Fernandes Eduardo FA , Qian Feng , Tosi Sébastien , Christensen Søren T , Pedersen Stine F , Strømgaard Kristian , Russell Robert B , Miner Jeffrey H , Mahjoub Moe R , Boldt Karsten , Roepman Ronald , Pedersen Lotte B
Published: June 2024

Polarized vesicular trafficking directs specific receptors and ion channels to cilia, but the underlying mechanisms are poorly understood. Here we describe a role for DLG1, a core component of the Scribble polarity complex, in regulating ciliary protein trafficking in kidney epithelial cells. Conditional knockout of Dlg1 in mouse kidney causes ciliary elongation and cystogenesis, and cell-based proximity labeling proteomics and fluorescence microscopy show alterations in the ciliary proteome upon loss of DLG1. Specifically, the retromer-associated protein SDCCAG3, IFT20, and polycystin-2 (PC2) are reduced in the cilia of DLG1-deficient cells compared to control cells. This phenotype is recapitulated in vivo and rescuable by re-expression of wild-type DLG1, but not a Congenital Anomalies of the Kidney and Urinary Tract (CAKUT)-associated DLG1 variant, p.T489R. Finally, biochemical approaches and Alpha Fold modelling suggest that SDCCAG3 and IFT20 form a complex that associates, at least indirectly, with DLG1. Our work identifies a key role for DLG1 in regulating ciliary protein composition and suggests that ciliary dysfunction of the p.T489R DLG1 variant may contribute to CAKUT.
Adsorption and solar light activity of noble metal adatoms (Au and Zn) on Fe(111) surface: a first-principles study
Authors: Rafiq Qaiser , Khan Muhammad Tahir , Hayat Sardar Sikandar , Azam Sikander , Rahman Amin Ur , Elansary Hosam O. , Shan Muhammad
Published: June 2024

Noble metals such as gold (Au), zinc (Zn), and iron (Fe) are highly significant in both fundamental and technological contexts owing to their applications in optoelectronics, light-emitting devices, photovoltaics, nanotechnology, batteries, and thermal barrier coatings.
Adsorption and biodegradation of the azo dye methyl orange using Ralstonia pickettii immobilized in polyvinyl alcohol (PVA)–alginate–hectorite beads (BHec-RP)
Authors: Asranudin  , Purnomo Adi Setyo , Holilah  , Prasetyoko Didik , El Messaoudi Noureddine , Rohmah Alya Awinatul , Putra Hidayat Alvin Romadhoni , Subagyo Riki
Published: June 2024

Biological methods are widely used to treat dye waste, particularly methyl orange (MO) dye.
Development and validation of an HPLC-DAD method for the quantification of cannabigerol, cannabidiol, cannabinol and cannabichromene in human plasma and mouse matrices
Authors: Carona Andreia , Bicker Joana , Fonseca Carla , da Graça Campos Maria , Falcão Amílcar , Fortuna Ana
Published: June 2024

This HPLC-DAD method allows a selective, accurate and precise quantification of cannabigerol, cannabidiol, cannabinol and cannabichromene. It demonstrated to be applicable to pre-clinical studies and therapeutic drug monitoring of cannabidiol.
An extracellular vesicle microRNA-initiated 3D DNAzyme motor for colorectal cancer diagnosis
Authors: Fan Qian , Sun Xu-Hong , Wu Na , Wang Yuan-He , Wang Jian-Hua , Yang Ting
Published: June 2024

Combining target-initiated 3D DNAzyme motors with single-molecule imaging enables intuitive, sensitive and rapid detection of different miRNAs. Dual miRNA detection of EVs using this method is effective for clinical diagnosis of colorectal cancer.
A near-infrared plasmonic biosensor for detection of morphine and codeine in biological samples based on the end-to-end assembly of modified gold nanorods
Authors: Mohseni Naimeh , Bahram Morteza
Published: June 2024

An efficient and practicable biosensor to detect morphine and codeine was fabricated by means of 2-amino-5-mercapto-1,3,4-thiadiazole functionalized gold nanorods (AMTD-AuNRs) in aqueous solution.
Rh(iii)-catalyzed C(sp2)–H functionalization/[4+2] annulation of oxadiazolones with iodonium ylides to access diverse fused-isoquinolines and fused-pyridines
Authors: Chen Wang-Liang , Song Jia-Lin , Fang Sheng , Li Jiong-Bang , Zhang Shang-Shi , Shu Bing
Published: June 2024

A Rh(iii)-catalyzed C–H/N–H [4+2] annulation of oxadiazolones with iodonium ylides was developed, which afforded a series of fused-isoquinolines and fused-pyridines.
Co-doped NaYF4:Yb/Er/Tm upconversion luminescent coating to enhance the efficiency of photovoltaic cells
Authors: Zhu Shaoqi , Xie Xiaofeng , Han Lin , Li Haiming , Shi Chenglin , Yang Yong , Sun Jing
Published: June 2024

Co-doped NaYF4:Yb/Er/Tm upconversion coating significantly increased the photoelectric conversion efficiency of photovoltaic cells.
Molecular dynamics simulations reliably identify vibrational modes in far-IR spectra of phospholipids
Authors: Chng Choon-Peng , Dowd Annette , Mechler Adam , Hsia K. Jimmy
Published: June 2024

The far-IR vibrational spectrum of phospholipid calculated from molecular dynamics simulations inherently takes local and collective motions into account and facilitates assignment of functional groups to specific peaks in the experimental spectrum.
Engineering highly selective CO2 electroreduction in Cu-based perovskites through A-site cation manipulation
Authors: Yang Shuaibing , Chen Xiao-Min , Shao Tao , Wei Zongnan , Chen Zhe-ning , Cao Rong , Cao Minna
Published: June 2024

Doping La2CuO4 with A-site elements creates abundant active sites and oxygen vacancies, boosting CO2 electroreduction selectivity by altering electronic structure and intermediate binding energies.
Perspective: multi-configurational methods in bio-inorganic chemistry
Authors: Jørgensen Frederik K. , Delcey Mickaël G. , Hedegård Erik D.
Published: June 2024

Transition metals play crucial roles in many proteins. Historically, density functional theory has dominated this field, but recent advancements have now made multiconfigurational wave functions accessible. We discuss these recent advancements.
Fine-tuning of radiative properties by “mild” substituents: searching for a perfectly soft chromophore
Authors: Orzanowska Grażyna , Ryppa Claudia , Senge Mathias O. , Waluk Jacek
Published: June 2024

Absorption, fluorescence, and MCD spectra reveal the energy ordering of two frontier orbitals opposite to that predicted by DFT calculations.
Physical chemistry of the energy transition
Authors: Schlögl Robert , Wodtke Alec M. , Jacob Timo , Schauermann Swetlana
Published: June 2024

This themed collection includes a collection of articles from the Bunsen-Tagung 2023 on “Physical Chemistry of the Energy Transition”.
Synthesis, characterization, DNA interaction, molecular docking, and α-amylase and α-glucosidase inhibition studies of a water soluble Zn(ii) phthalocyanine
Authors: Saglam Ertunga Nagihan , Saka Ece Tugba , Taskin-Tok Tugba , Inan Bektas Kadriye , Yildirim Akatin Melike
Published: June 2024

In vitro and in silico DNA binding and cleavage activity and the antidiabetic activity of synthesized and characterized 2(3),9(10),16(17),23(24)-tetrakis-[(N-methyl-(1-benzylpiperidin-4-yl)oxy)phthalocyaninato]zinc(ii) iodide were investigated.
Ammonium halide selective ion pair recognition and extraction with a chalcogen bonding heteroditopic receptor
Authors: Docker Andrew , Tse Yuen Cheong , Tay Hui Min , Zhang Zongyao , Beer Paul D.
Published: June 2024

The first example of a heteroditopic receptor capable of cooperative recognition and extraction of ammonium salt (NH4X) ion-pairs is described.
Retuning the potential of the electrochemical leaf
Authors: Dolińska Marta M. , Kirwan Adam J. , Megarity Clare F.
Published: June 2024

By changing an active site tyrosine in FNR (the enzyme central to the e-Leaf) its exclusivity for NADP(H) swaps to NAD(H). Here, an electrochemical study of this variant reveals that the reduction potential of its active site flavin has been retuned.
Liquid-phase hydrogenation of carbon monoxide to methanol using a recyclable manganese-based catalytic system
Authors: Stahl Sebastian , Wessel Niklas , Vorholt Andreas J. , Leitner Walter
Published: June 2024

A simple and recyclable homogeneous catalytic system for the hydrogenation of carbon monoxide to methanol was established.
Preparing microparticles on an elementary substrate using a micro-hole array sprayer to assist LIBS: a highly sensitive trace rare earth element detection method for aqueous solution analysis
Authors: Pan Kezeng , Li Jiamin , Zhong Shilei , Zhang Changhong , Wang Yiping , Xue Yuanyuan , Xue Gongyi
Published: June 2024

Preparing solution samples on an Al substrate: an innovative approach for achieving ppb-level LIBS detection of rare earth elements.
Versatile Pickering emulsion gel lubricants stabilized by cooperative interfacial graphene oxide-polymer assemblies
Authors: Yu Weiyan , Ji Zhongying , Lyu Yang , Sui Xudong , Hao Jingcheng , Xu Lu
Published: June 2024

A new-type Pickering emulsion gel capable of providing high colloidal stability, potent in-air and under-water lubrication, cooling capacity, and anti-corrosion and anti-swelling behavior is reported. It can also be 3D-printed into various shapes.
Confined CO in a sandwich structure promotes C–C coupling in electrocatalytic CO2 reduction
Authors: Fan Wenya , Liu Yinghuan , Zhang Chengbin , Chen Xiangdong , He Dongpo , Li Mengqian , Hu Qing , Jiao Xingchen , Chen Qingxia , Xie Yi
Published: June 2024

A sandwich C/Cu/C assembly catalyst was prepared to boost the electrocatalytic activity and FE of C2 products by regulating kinetic mass transport, increasing local CO concentration and facilitating C–C coupling in electrocatalytic CO2 reduction.
Advances in MXene surface functionalization modification strategies for CO2 reduction
Authors: Li Hailong , Liu Linhao , Yuan Tianbin , Zhang Jianwen , Wang Tiantian , Hou Juan , Chen Jiangzhao
Published: June 2024

Progress in the study of MXenes for electrocatalytic carbon dioxide reduction.
Ternary Pb1−xCdxS quantum dot-based UV-vis-NIR photoelectrochemical photodetection with superior photoresponsivity and detectivity
Authors: Zhu Youhua , Huang Zhihui , Wei Songrui , Hu Yi , Chen Hongyan , Wang Mengke , Zi You , Huang Weichun
Published: June 2024

Ultrasmall, uniform, ternary Pb1−xCdxS quantum dots are fabricated for photoelectrochemical-type photodetection with superior photoresponsivity and detectivity.
Silanes as a versatile hydride source for Ni–H catalysis: a promising tool for π-hydro functionalization
Authors: Mirza Yafia Kousin , Bera Partha Sarathi , Mohite Sachin Balaso , Pandey Ajeet Kumar , Bera Milan
Published: June 2024

Nickel-catalyzed hydrofunctionalization of π-substrates is a possibly effective method to synthesize several value-added molecular architectures. This review covers the NiH catalyzed hydrofunctionalization reactions of alkenes, alkynes and allenes.
Theoretical study of the mechanism for photocatalytic CO2 reduction to methanol over layered double hydroxides
Authors: Xu Si-Min , Xu Rui , Zhu Yu-Quan , Zhu Ling , Zong Yingtong
Published: June 2024

The Jahn–Teller effect of Cu leads to the structural distortion of (ZnCu)2Ga–NO3–LDH, which results in a special adsorption geometry of the key intermediate CH3OH*, preventing it from over-reduction and thus improving the selectivity for CH3OH.
Designing rock salt phase enriched surface in Mn-based partially disordered spinel cathode materials for mitigating degradation in Li-ion batteries
Authors: Jo Hyoi , Lee Changju , Nam HyeongJun , Ha Jee Ho , Kong Nyung Joo , Ku Kyojin , Kang Seok Ju , Jung Sung-Kyun
Published: June 2024

A novel Mn-based Sp-DRX electrode engineered to initiate favorable early phase transitions, effectively delaying detrimental transitions to extend battery life.
A super-tough plant oil based elastomer for UV-light assisted 3D printed soft robotics and shape-memory
Authors: Ritere Agnija , Jurinovs Maksims , Platnieks Oskars , Barkane Anda , Gaidukovs Sergejs
Published: June 2024

Herein we introduce a plant oil-based elastomer system for 3D-printable soft robotics, offering high flexibility and resolution. Systems with varied mechanical properties in printed parts enable fast, delicate movements and the shape memory effect.
Solution-processable Ni3(HITP)2/MXene heterostructures for ppb-level gas detection
Authors: Wu Xuanhao , Niu Mengmeng , Tian Xin , Peng Xiaoyan , Buenconsej Pio John S. , Wu Xu , Wang Yeliang , Ji Wei , Li Yi , Qiao Jingsi , Tao Jifang , Zhang Mingming , Xiao Song , Yuan Hongye
Published: June 2024

Ni3(HITP)2/MXene heterostructures with conductivity and solution processability were constructed by a template assisted strategy. The Ni3(HITP)2/MXene-based gas sensors exhibit high sensitivity and selectivity to ethanol at room temperature.
Self-healing, antibiofouling and anticorrosion properties enabled by designing polymers with dynamic covalent bonds and responsive linkages
Authors: Sokjorhor Jenpob , Yimyai Tiwa , Thiramanas Raweewan , Crespy Daniel
Published: June 2024

The combination of self-healing property and controlled release of corrosion inhibitor yield polymer coatings with excellent anticorrosion properties.
Advances in drug delivery-based therapeutic strategies for renal fibrosis treatment
Authors: Huang Sida , Lu Hanqi , Chen Jin , Jiang Chengyi , Jiang Guanmin , Maduraiveeran Govindhan , Pan Ying , Liu Jianqiang , Deng Li-Er
Published: June 2024

Renal fibrosis is the result of all chronic kidney diseases and is becoming a major global health hazard.
Tough and elastic hydrogels based on robust hydrophobicity-assisted metal ion coordination for flexible wearable devices
Authors: Liu Zheng , Shen Kaixiang , Zhang Mengyuan , Zhang Yuchen , Lv Zhuting , Shang Qinghua , Li Renjie , Zhou Can , Cheng Yilong
Published: June 2024

A hydrogel-based flexible sensor based on hydrophobicity-assisted metal ion coordination is reported for human movement monitoring and physiological signal detection.
Photoluminescent organic crystals and co-crystals
Authors: Dar Aijaz A. , Malik Asif A.
Published: June 2024

This perspective highlights the significance of crystal engineering intervention in the design and development of applied optical materials.
Tunable silencer for rectangular ventilation duct based on composite Helmholtz resonators
Authors: Gao Cong , Hu Chuandeng , Hou Bo , Wu Xiaoxiao , Wen Weijia
Published: June 2024

To attenuate low-frequency noise in square ventilation ducts, a tunable duct silencer consisting of composite Helmholtz resonators (HR) that precisely controlled by a step motor was proposed in this paper. An analytical model based on temporal coupled mode theory (TCMT) is applied to explain the sound absorption mechanism. The design breaks the limitation that the operating frequency of a silencer is fixed after manufacturing and avoids the degradation of ventilation conditions by attaching to the duct as a side branch. By using a step motor to drive the tunable cavity HR, the silencer can achieve accurate and continuous adjustment of the operating frequency over the entire operating frequency spectrum. In the experiment, the silencer has an absorption bandwidth of 250 Hz and ranges from 710 Hz to 960 Hz. Porous material is inserted into the cavities of HR to improve the damping properties. When integrated into the simulation model, it enables the rapid design of silencer dimensions for different sound absorption frequencies. The design demonstrates a new solution for low frequency sound attenuation in ventilation ducts and provides a potential technique for the future development of active controlled duct silencers.
Optimal shaping of acoustic black holes for sound absorption in air
Authors: Červenka Milan , Bednařík Michal
Published: June 2024

This article presents a systematic numerical study of the absorbing properties of acoustic black holes (ABHs) serving as an anechoic termination of waveguides. The study focuses on the sensitivity of ABHs’ absorbing performance to their profile and internal-structure parameters. The article compares numerical predictions from 1D model based on the Riccati equation with a detailed 2D model based on the linearized Navier-Stokes equations and the finite element method, finding good agreement among all results, especially for ABHs with fine internal structures. The mean value of the reflection coefficient modulus is used to quantify the ABH’s absorbing performance, and the article introduces the use of power-law functions and cubic splines to define the ABH’s shape function. An evolutionary algorithm is employed to optimize the ABH’s profile, resulting in improved absorbing performance. The numerical results suggest that the optimum shape is simple and more-or-less insensitive to other geometrical and internal-structure parameters.
Risk Assessment of Musculoskeletal Disorders Using Artificial Intelligence
Authors: Varas Michelle , Chang Lidia , Garcia Juan-Carlos , Moreira Eugenia
Published: June 2024

Agricultural ergonomics employs methods such as Rapid Upper Limb Assessment (RULA) and Rapid Entire Body Assessment (REBA) to assess postural risks. However, these methods may be inaccurate and time-consuming. The objective of this study is to compare the effectiveness of Artificial Intelligence (AI), specifically a software based on MediaPipe, with conventional methods (RULA-REBA) to identify and assess ergonomic risks due to postures in rice agriculture. The methodology employed involved the development of AI software with MediaPipe, which was designed to detect postures in real time. This model was capable of identifying 33 anatomical points, thereby enabling detailed analysis of movement and posture. The results demonstrated that the AI outperformed RULA and REBA in detecting forced postures. Furthermore, it provided faster and more accurate assessments. The findings indicated that AI could be a valuable tool in agricultural ergonomics, potentially outperforming traditional methods. This could significantly improve working conditions and reduce musculoskeletal disorders among farmers.
Manufacturing full-size panels and frame-filings foam concrete by innovating technologies
Authors: Temikeev Konushbek , Mamatov Zhanybek , Meshcheriakov Arseniy
Published: June 2024

This paper is devoted to development of a technological line, technological map and technology of production prefabricated large-sized partition panels and frame fillings on the base of a functioning manufacture prefabricated reinforced concrete products workshop. The territory of the Kyrgyz Republic is one of the most seismically active zones in the Central Asian region. More than 6.3 million people live in Kyrgyzstan. At the same time, the population living in the 9-point zone is about 1.0 million people (including 0.2 million people in Bishkek); in the 8-point zone – 5.1 million people, etc. In accordance with current design standards, the use of brick as frame infill above the fifth floor is prohibited. That’s why, there is a need to use alternative lightweight materials. The production of wall panels and frame fillings from foam concrete will significantly reduce the installation time of walls and significantly reduce the seismic load on the building.
Vibrations of the concrete pump boom in the plane of rotation
Authors: Plavelskiy Evgeny , Skel Vladimir
Published: June 2024

A reduced dynamic system of a distributing boom of a concrete pump with three masses has been created and differential equations of boom oscillations based on the generalized Hooke's law have been compiled. The oscillations of the horizontally expanded boom in the modes of acceleration and braking of rotation, and in the mode of emergency braking of the boom rotation are considered. Frequencies and forms of oscillations are determined. The effect of the mass of the root section on the energy balance of the boom oscillations was only 1.5% in the first shapes and less than 10% in the second and third waveforms. The main loading of the boom occurs according to the first form of vibrations. To analyze the loading of the boom during emergency braking of the turn, it is permissible to take a dynamic system of a concrete distributing boom with two degrees of freedom. The performed studies allowed us to propose a simple dynamic system for studying the oscillations of the distribution boom in the plane of rotation.
Resistance of stretched concrete in composite non-centrally compressed reinforced concrete structures
Authors: Kolchunov Vladimir , Fedorov Sergey , Grechishnikov Sergey
Published: June 2024

In relation to composite non-centrally compressed reinforced concrete structures, a computational model and deformation dependences are constructed to assess the resistance of stretched concrete from integral internal forces, taking into account the effect of breaking the continuity of concrete during cracking. The hypothesis of flat sections can be accepted for the middle sections located in the areas between the cracks and experiencing impacts on the left and right, only within one of the rods forming a composite rod. In this case, conditional concentrated shifts, which are called strain gradients, are taken into account in the composite rod at the points of contact joints of adjacent elements. As a result, in a system consisting of concrete blocks and reinforcement, reactions occur in the vicinity of cracks due to the contact of concrete and reinforcement caused by this effect – the deformation effect. The analysis of experimental data has established characteristic diagrams of deformations of reinforcement and concrete in the area between cracks taking into account the influence of this effect.
Calculation of a rectangular reinforced concrete reservoir, taking into account technological concreting seams
Authors: Malakhova Anna
Published: June 2024

When designing buildings and structures in monolithic reinforced concrete, including rectangular reservoirs, it is very important to take into account technological concreting seams. For the reservoir, the water resistance of the technological concreting seams is of fundamental importance, since it can cause increased water filtration through the enclosing structures of the reservoirs. Filtration of water, in turn, leads to increased corrosion of the reinforcement with a subsequent decrease in the bearing capacity structures. Many domestic researchers have paid attention to various aspects of this problem, including computer simulation of technological concreting seams. In the calculations, it is necessary to take into account the strength characteristics of materials and defects in the technological seams of concreting, identified by the results of a survey of the technical condition of reinforced concrete structures of buildings and structures. To calculate a rectangular reinforced concrete reservoir, taking into account the technological concreting seams, the author of the article built a fragment of the longitudinal wall of the reservoir. This fragment was used to determine the influence of the strength of concrete and the height of the zone of technological seams of concreting on the stress-strain state of the structure.
Design of structural slabs with significant differences in bearing heights
Authors: Korenets Aleksandr , Leyer Darya
Published: June 2024

This article is devoted to the design methods of spatial metal structures and non-standard supports for them in conditions of significant difference in the location of elevation marks of bearing points. Several analytical models of structural slabs with multilevel support were built, and the calculation results revealed peculiarities of the operation of these structures and presented constructive solutions for their design. Also, on their basis, unified methods and typical solutions for constructing spatial structures were proposed.
Calculation of the risk of destruction of the pavement by permissible stresses in monolithic layers
Authors: Stolyarov Victor , Belozerov Jaroslav , Talalai Victor , Ivanov Alexander , Belozerov Mikhail
Published: June 2024

The article presents a calculation of the strength of the road structure according to the allowable tensile stresses during bending in monolithic layers. The test is carried out according to the criterion of maximum tensile stresses on the sole of the layer along the load axis. The continuity of monolithic layers will not be violated if the tensile stresses during repeated bending do not exceed the permissible stresses (for the material of this layer), established taking into account fatigue phenomena. Therefore, for layers with an organic binder, the test is carried out according to the criterion of maximum tensile stresses on the sole of the layer along the load axis. This work is aimed at establishing the probability of cracks in the monolithic layer during bending, depending on the qualitative condition of the structures and changes in soil moisture of the roadbed in the spring period. It is taken into account that the distribution of tensile stresses in a monolithic layer during bending does not contradict the normal distribution law.
Torsion of asymmetric buildings during non-linear deformation of reinforced concrete
Authors: Lyublinskiy Valery
Published: June 2024

Torsion occurs in asymmetrical buildings under the action of seismic and wind loads. The main cause of torsion is the eccentricity between the center of stiffness and the center of mass. This paper considers the resistance of multi-storey load-bearing systems of buildings during torsion caused by an asymmetric arrangement of vertical load-bearing elements. An increase in the eccentricity between the center of mass and the center of stiffnesses leads to an increase in the torsional effects on the load-bearing systems and load-bearing elements. The torsional angles of buildings increase. The shapes of vibrations change. Linear-elastic model of resistance of reinforced concrete structures to external influences leads to overestimation of stress-strain state parameters of load-bearing systems elements. A simple nonlinear model based on concrete and reinforcement deformation diagrams is considered. Refined data on the resistance of load-bearing systems to torsional effects are obtained. The results of the analysis can be used for creation of torsionally balanced structures of multistory buildings.