bluuebunny/crossref_metadata_2025_split huggingface dataset:
A new framework combining hydrological connectivity metrics and morphological spatial pattern analysis for the hydrological connectivity evaluation of wetlands
Authors: Wei Chenxi , Wang Xuan , Cai Jianying , Liao Zhenmei , Li Chunhui , Liu Qiang 
Published: October 2022

Abstract
The quantitative evaluation of wetland hydrological connectivity is essential to the hydrological connectivity restoration-oriented ecological conservation and environmental management of wetlands. We proposed a framework to evaluate wetland hydrological connectivity with a combination of hydrological connectivity metrics and morphological spatial pattern analysis and recognized potential sites and links that had been generally overlooked in previous studies. Variations in hydrological connectivity revealed a decreasing trend followed by a gradual recovery from the critical time node of 2005 in Baiyangdian Lake. The core, one of the most important landscape types, played a dominant role in maintaining wetland hydrological connectivity at both temporal and spatial scales, and its variations matched those of hydrological connectivity. More importantly, we redressed the conventional ignorance of peripheral patches and links and recognized their importance in improving the hydrological connectivity of wetlands. The proposed framework provides an effective and practical tool for the hydrological connectivity evaluation of wetlands, expanding new insights into maintaining the health and integrity of wetland ecosystems. Integr Environ Assess Manag 2023;19:1064–1078. © 2022 SETAC
Manganese‐Enhanced Magnetic Resonance Imaging of the Heart
Authors: Singh Trisha , Joshi Shruti , Kershaw Lucy E , Dweck Marc R , Semple Scott I , Newby David E 
Published: October 2022

Manganese‐based contrast media were the first in vivo paramagnetic agents to be used in magnetic resonance imaging (MRI). The uniqueness of manganese lies in its biological function as a calcium channel analog, thus behaving as an intracellular contrast agent. Manganese ions are taken up by voltage‐gated calcium channels in viable tissues, such as the liver, pancreas, kidneys, and heart, in response to active calcium‐dependent cellular processes. Manganese‐enhanced magnetic resonance imaging (MEMRI) has therefore been used as a surrogate marker for cellular calcium handling and interest in its potential clinical applications has recently re‐emerged, especially in relation to assessing cellular viability and myocardial function. Calcium homeostasis is central to myocardial contraction and dysfunction of myocardial calcium handling is present in various cardiac pathologies. Recent studies have demonstrated that MEMRI can detect the presence of abnormal myocardial calcium handling in patients with myocardial infarction, providing clear demarcation between the infarcted and viable myocardium. Furthermore, it can provide more subtle assessments of abnormal myocardial calcium handling in patients with cardiomyopathies and being excluded from areas of nonviable cardiomyocytes and severe fibrosis. As such, MEMRI offers exciting potential to improve cardiac diagnoses and provide a noninvasive measure of myocardial function and contractility. This could be an invaluable tool for the assessment of both ischemic and nonischemic cardiomyopathies as well as providing a measure of functional myocardial recovery, an accurate prediction of disease progression and a method of monitoring treatment response.Evidence Level: 5Technical Efficacy: Stage 5
Dissolve‐spin: Desalting oligonucleotides for MALDI MS analysis
Authors: Apostle Alexander , Fang Shiyue 
Published: October 2022

AbstractDesalting oligonucleotides (ONs) for matrix‐assisted laser desorption ionization mass spectrometry (MALDI MS) analysis was achieved using a simple dissolve‐spin approach. The ON is dissolved in an organic solvent. Insoluble salts are removed by centrifugation. ONs are highly polar molecules and are generally believed insoluble in organic solvents with moderate polarity such as acetonitrile (ACN), 1,4‐dioxane, ethyl acetate, and THF. However, we found that in the presence of a suitable proton source such as pyridinium chloride, a quantity of ON that is sufficient for MALDI MS analysis could be dissolved. Because inorganic salts are insoluble in such relatively non‐polar solvents, the finding can be utilized for desalting ONs for MALDI MS analysis. Comparisons of MS spectra of intentionally salted ONs that underwent the new desalting procedure with those that did not undergo the procedure provided unambiguous evidence that the desalting method is highly effective.
Risk factors for the presence and persistence of posttraumatic stress symptoms following traumatic brain injury in U.S. service members and veterans
Authors: Lange Rael T. , French Louis M. , Lippa Sara , Baschenis Samantha M. , Gillow Kelly C. , Glazer Megan E. , Rogers Alicia A. , Cristaudo Kendal E. , Bailie Jason M. , Hungerford Lars , Kennedy Jan , Brickell Tracey A. 
Published: October 2022

AbstractThis study aimed to identify risk factors predictive of the presence and persistence of posttraumatic stress disorder (PTSD) symptom reporting following traumatic brain injury (TBI). Participants were 1,301 U.S. service members and veterans (SMVs) divided into four groups: uncomplicated mild TBI (mTBI; n = 543); complicated mild, moderate, severe, and penetrating TBI (n = 230); injured controls (n = 340); and noninjured controls (n = 188). We examined 25 factors related to demographic, injury‐related, military‐specific, treatment/health care need, and mental health/social support variables. Seven factors were statistically associated with the presence of DSM‐IV‐TR symptom criteria for PTSD: premorbid IQ, combat exposure, depression, social participation, history of mTBI, need for managing mood and stress, and need for improving memory and attention, p < .001 (51.3% variance). When comparing the prevalence of these risk factors in a longitudinal cohort (n = 742) across four PTSD trajectory groups (i.e., asymptomatic, improved, developed, persistent), a higher proportion of participants in the persistent PTSD group reported worse depression, a lack of social participation, and history of mTBI. Additionally, a higher proportion of participants in the persistent and developed PTSD groups reported the need for managing mood/stress and improving memory/attention. When considered simultaneously, the presence of ≥ 1 or ≥ 2 risk factors was associated with a higher proportion of participants in the developed and persistent PTSD groups, ps < .001. These risk factors may be useful in identifying SMVs at risk for the development and/or persistence of PTSD symptoms who may need intervention.
Lq$L^q$‐weak solutions to the time‐dependent 3D Oseen system: Decay estimates
Authors: Deuring Paul 
Published: October 2022

AbstractThis article deals with ‐weak solutions to the 3D time‐dependent Oseen system. This type of solution is defined in terms of the velocity only. It is shown that the velocity may be represented by a sum of integrals none of which involves the pressure and without a surface integral of the spatial gradient of the velocity. On the basis of this representation formula, an estimate of the spatial decay of the velocity and its spatial gradient is derived. No boundary conditions have to be imposed for these results.
Repeatability and reproducibility of MRI‐radiomic features: A phantom experiment on a 1.5 T scanner
Authors: Bologna Marco , Tenconi Chiara , Corino Valentina D. A. , Annunziata Gaetano , Orlandi Ester , Calareso Giuseppina , Pignoli Emanuele , Valdagni Riccardo , Mainardi Luca T. , Rancati Tiziana 
Published: October 2022

AbstractPurposeAim of this study is to assess the repeatability of radiomic features on magnetic resonance images (MRI) and their stability to variations in time of repetition (TR), time of echo (TE), slice thickness (ST), and pixel spacing (PS) using vegetable phantoms.MethodsThe organic phantom was realized using two cucumbers placed inside a cylindrical container, and the analysis was performed using T1‐weighted (T1w), T2‐weighted (T2w), and diffusion‐weighted images. One dataset was used to test the repeatability of the radiomic features, whereas other four datasets were used to test the sensitivity of the different MRI sequences to image acquisition parameters (TR, TE, ST, and PS). Four regions of interest (ROIs) were segmented: two for the central part of each cucumber and two for the external parts. Radiomic features were extracted from each ROI using Pyradiomics. To assess the effect of preprocessing on the reduction of variability, features were extracted both before and after the preprocessing. The coefficient of variation (CV) and intra‐class correlation coefficient (ICC) were used to evaluate variability.ResultsThe use of intensity standardization increased the stability for the first‐order statistics features. Shape and size features were always stable for all the analyses. Textural features were particularly sensitive to changes in ST and PS, although some increase in stability could be obtained by voxel size resampling. When images underwent image preprocessing, the number of stable features (ICC > 0.75 and mean absolute CV < 0.3) was 33 for apparent diffusion coefficient (ADC), 52 for T1w, and 73 for T2w.ConclusionsThe most critical source of variability is related to changes in voxel size (either caused by changes in ST or PS). Preprocessing increases features stability to both test–retest and variation of the image acquisition parameters for all the types of analyzed MRI (T1w, T2w, and ADC), except for ST.
Flavor Wheel for Sensory Analysis of Fish Raised in Recirculating Aquaculture Systems
Authors: Schrader Kevin K. 
Published: October 2022

Abstract
A variety of preharvest off-flavors can occur in fish raised in recirculating aquaculture systems. Studies involving the sensory evaluations of fillets of eight different fish species that were raised in recirculating aquaculture systems either commercially or at research facilities were performed using trained panelists in two research laboratories. A flavor wheel of the types/descriptors of off-flavors that can occur in fish that are cultured in recirculating aquaculture systems, along with general categories and degrees of objectionability, was subsequently developed from the combined data as a reference guide for producers and researchers.
Rotenone Has Little Effect on Water Quality, Phytoplankton, Zooplankton, or Macroinvertebrates in Aquaculture Nursery Ponds
Authors: Mischke Charles C. , Richardson Bradley M. , Wise David J. , Tiwari Ambika 
Published: October 2022

Abstract
Rotenone application has been reported to cause significant declines in zooplankton populations, with cladocerans and copepods being the most susceptible and possibly taking months to recover. Because copepods and cladocerans are preferred by fry of catfish Ictalurus spp., rotenone application could have significant effects on nursery pond production. Effects of rotenone on zooplankton and time required for recovery has not been studied in eutrophic aquaculture ponds typically drained and refilled yearly. We quantified rotenone application effects to either mostly drained ponds or full ponds (0.04 ha) in northwestern Mississippi on water quality, phytoplankton, zooplankton, and aquatic macroinvertebrates during May (23°C) and June (30°C) when most catfish fry ponds are stocked. For study 1, nine ponds were drained to about 15 cm of water. Six ponds were treated with 4 μL/L rotenone; three treated ponds were then treated with 4 mg/L potassium permanganate (KMnO4). The three additional ponds were drained but untreated. All ponds were then filled and fertilized with urea. In study 2, six full ponds were treated with 4 μL/L rotenone. Three of those ponds were then treated the next day with 4 mg/L KMnO4. An additional three ponds were left as untreated controls. Applying rotenone to the experimental ponds with 15 cm or less of water (study 1) had no effect on water quality, phytoplankton, or zooplankton. Neutralization with KMnO4 did not affect any measured variables. Desirable zooplankton numbers for catfish culture reached 100 organisms/L 11–14 d after treatment. In study 2, when a whole pond was treated with rotenone, desirable zooplankton numbers reached 100 organisms/L 7 d after treatment if neutralized with KMnO4 and about 11 d after treatment without neutralization. Rotenone treatment did not reduce predatory macroinvertebrate risk, and this should be addressed using additional management strategies.
Auf Ruinen gebaut zur europäischen Spitze
Authors: Peppel Tim 
Published: October 2022

AbstractEnde November 1952 wurde das Institut für Katalyseforschung in Rostock eingeweiht. Es war das erste europäische Forschungsinstitut, das sich ausschließlich mit Katalyse beschäftigte, und der erste Neubau eines Forschungsinstituts in der DDR.
Interview mit Chemienobelpreisträger Benjamin List: "Ein kleiner Ruhm"
Authors: Zbikowski Frauke , Remenyi Christian 
Published: October 2022

AbstractBenjamin List, Chemienobelpreisträger des letzten Jahres über Preise, Konkurrenz und Redlichkeit in der Wissenschaft sowie Ideen, die ihren Weg in die Welt finden.
Chemiedidaktik: Neues von den Alginatbällchen
Authors: Ducci Matthias 
Published: October 2022

AbstractDie durchsichtigen Kügelchen leuchten, hören auf zu leuchten, färben sich und entfärben sich wieder – je nachdem, welche Chemikalien eingeschlossen werden, wenn eine Natriumalginat‐ in eine Calciumchloridlösung tropft. Vorschläge für Versuche, die chemische Konzepte anschaulich machen.
Suprachem 2022 in Mainz
Authors: Wang Yuqing , Weil Tanja , Kubik Stefan , Walther Andreas , Besenius Pol 
Published: October 2022

AbstractNach einem Jahr Coronapause fand das sechste Suprachem‐Symposium in Mainz am Max‐Planck‐Institut für Polymerforschung und am Chemie‐Department der Universität statt. Die dreitägige Konferenz brachte über 300 Wissenschaftler aus verschiedenen Ländern zusammen. 31 Vorträge und mehr als 150 Posterpräsentationen gaben einen Überblick über die aktuelle supramolekulare Chemie.
Venomik – Gifte von Spinnen und Schlangen charakterisieren
Authors: Ehrensberger Christian 
Published: October 2022

AbstractUm Tiergifte zu charakterisieren, nutzt die Forschung Multi‐Omics‐Verfahren, Next‐Generation‐Sequencing, Bioinformatik und mehr. Dabei entstehen immer wieder Ideen, die Verfahren zu optimieren, sodass sie der gesamten chemisch‐pharmazeutischen Analytik zugute kommen.
Experiences of South Korean mothers of children with medical complexity under long‐term hospitalization
Authors: An Ji Young , Kwon So‐Hi , Choi Hye Ri 
Published: October 2022

AbstractAimsTo explore the experiences of South Korean mothers of their children with medical complexity under long‐term hospitalization.DesignA qualitative descriptive using thematic analysis.MethodsSeven South Korean mothers of children with medical complexity underwent semi‐structured interviews between February and April 2021. Data were analysed by six phases of thematic analysis. The consolidated criteria for reporting qualitative research guidelines were applied in the conduct of the research.ResultsMothers of children with medical complexity experienced a journey beginning from within their vacillating minds towards the outside world. The mother's journey during the hospitalization of their children with medical complexity began from within their vacillating minds towards achieving resilience. The mothers received various support from the family, society and hospital staff during this period of vacillation. When the mothers achieved resilience, they in turn provided support to other mothers as an act of solidarity.
Aromaticity and antiaromaticity in monoheterocyclic three‐membered rings: Application of natural bond orbital theory
Authors: Brydon Samuel C. , White Jonathan M. 
Published: October 2022

AbstractUsing natural bond orbital theory, aromatic stabilization energies (NBO‐ASEs) were calculated for neutral and cationic monoheterocyclic three‐membered rings C2H2X(R)n (X = group 14–17 elements of rows 3–5; R = F, H or SiH3; and n = 0–2). Generally, there was a decrease in the (anti)aromatic nature of the molecule moving down the group as either the stabilizing orbital overlap (aromaticity) or destabilizing orbital interactions (antiaromaticity) were reduced due to larger atoms inducing longer bonds. (Anti)aromatic trends were supported with dissected nucleus independent chemical shift NICS(0)π,zz values (R2 = 0.94) and also by comparison of NBO‐ASEs to literature values for a selection of larger systems including benzene, cyclobutadiene, and the cyclopentadienyl anion. Comparisons are made to other studies that have used a range of approaches to study (anti)aromaticity in some of these molecules, and it was found that non‐dissected NICS values and homodesmotic equations often gave significantly overestimated if not misleading results.
Effects of apalutamide dose reduction on skin‐related adverse events in patients with advanced prostate cancer: A multicenter retrospective study
Authors: Oishi Takuya , Hatakeyama Shingo , Tabata Ryuji , Fujimori Daiji , Kawashima Yohei , Tanaka Ryuma , Ishii Noritaka , Miura Hikari , Tanaka Toshikazu , Okamoto Teppei , Yamamoto Hayato , Yoneyama Takahiro , Hashimoto Yasuhiro , Sato Satoshi , Ohyama Chikara 
Published: October 2022

AbstractBackgroundWe aimed to evaluate the effects of apalutamide dose reduction on skin‐related adverse events (AEs) and castration‐resistant prostate cancer (CRPC)‐free survival in patients with advanced prostate cancer (PC).MethodsWe retrospectively evaluated 35 patients with nonmetastatic CRPC and 72 patients with treatment‐naïve metastatic castration‐sensitive PC (mCSPC) who were treated with apalutamide. The primary outcome was the effect of apalutamide dose reduction on skin‐related AEs. The secondary outcomes were the effect of apalutamide dose reduction on skin‐related AEs in patients with small body size, postskin AE apalutamide discontinuation rate, and CRPC‐free survival in patients with mCSPC treated with upfront apalutamide plus androgen deprivation therapy.ResultsOf the 107 patients, 65 (60.7%) and 42 (39.3%) were treated with full and reduced doses of apalutamide, respectively. The skin‐related AE rate was not significantly different between the groups (55% vs. 43%, p = 0.761). In the group receiving reduced apalutamide dose, the incidence of skin‐related AEs was significantly lower in patients with small body sizes (body weight <67 kg and body mass index <24 kg/m2) than in those with other body sizes. The postskin AE apalutamide discontinuation rate was significantly differed between patients receiving the full (50%) and reduced (16.7%) doses. In the 72 patients with mCSPC, CRPC‐free survival was not significantly different between the full and reduced dose groups.ConclusionApalutamide dose reduction was not significantly associated with the incidence of skin‐related AEs. However, dose reduction in patients with small body sizes may alleviate skin‐related AEs without sacrificing oncological outcomes.
Blockchain technology in quantum chemistry: A tutorial review for running simulations on a blockchain
Authors: Hanson‐Heine Magnus W. D. , Ashmore Alexander P. 
Published: October 2022

AbstractSimulations of molecules have recently been performed directly on a blockchain virtual computer at atomic resolution. This tutorial review covers the current applications of blockchain technology for molecular modeling in physics, chemistry, and biology, and provides a step‐by‐step tutorial for computational scientists looking to use blockchain computers to simulate physical and scientific processes in general. Simulations of carbon monoxide have been carried out using molecular dynamics software on the Ethereum blockchain in order to facilitate the tutorial.
Rapid Color‐Switching of MnO2 Hollow‐Nanosphere Films in Dynamic Water Vapor for Reversible Optical Encryption
Authors: Chen Yibo , Zuo Zhi‐Han , Liu Zhao‐Qing , Yin Yadong 
Published: October 2022

AbstractDrop‐casting manganese oxide (MnO2) hollow nanospheres synthesized via a simple surface‐initiated redox route produces thin films exhibiting angle‐independent structural colors. The colors can rapidly change in response to high‐humidity dynamic water vapor (relative humidity > 90%) with excellent reversibility. When the film is triggered by dynamic water vapor with a relative humidity of ≈100%, the color changes with an optimal wavelength redshift of ≈60 nm at ≈600 ms while there is no shift under static water vapor. The unique selective response originates from the nanoscale porosity formed in the shells by randomly stacked MnO2 nanosheets, which enhances the capillary condensation of dynamic water vapor and promotes the change of their effective refractive index for rapid color switching. The repeated color‐switching tests over 100 times confirm the durability and reversibility of the MnO2 film. The potential of these films for applications in anti‐counterfeiting and information encryption is further demonstrated by reversible encoding and decoding initiated exclusively by exposure to human breath.
Interface Engineering of Aqueous Zinc/Manganese Dioxide Batteries with High Areal Capacity and Energy Density
Authors: Shen Zhaoxi , Liu Yu , Luo Lei , Pu Jun , Ji Yu , Xie Junpeng , Li Linsen , Li Chaowei , Yao Yagang , Hong Guo 
Published: October 2022

AbstractCommercialization of aqueous batteries is mainly hampered by their low energy density, owing to the low mass loading of active cathode materials. In this work, a MnO2 cathode structure (MnO2/CTF) is designed to modify the MnO2/collector interface for enhanced ion transportation properties. Such a cathode can achieve ultrahigh mass loading of MnO2, large areal capacity, and high energy density, with excellent cycling stability and rate performance. Specifically, a 0.15 mm thick MnO2/CTF cathode can realize a mass loading of 20 mg cm−2 with almost 100% electrochemical conversion of MnO2, providing the maximum areal capacity of 12.08 mA h cm−2 and energy density of 191 W h kg−1 for Zn‐MnO2/CTF batteries when considering both cathode and anode. Besides the conventional low energy demonstrations, such a Zn‐MnO2/CTF battery is capable of realistic applications, such as mobile phones in our daily life, which is a promising alternative for wearable electronics.
High C–C cleavage efficiencies of ethanol oxidation reaction on mesoporous RhPt electrocatalysts
Authors: Yang Sufang , Yang Xiaobo , Cui Xueqin , Gao Xinhua , Zou Houbing , Tong Xili , Yang Nianjun 
Published: October 2022

AbstractOptimizing the structure of an electrocatalyst is critical to achieve its outstanding performance as well as to establish relationships between its composition and its performance. In this work, a series of mesoporous RhPt electrocatalysts (RhPt‐MPS) with different compositions are designed and synthesized toward the ethanol oxidation reaction (EOR). The mesoporous structure of RhPt‐MPS exposes abundant surface sites and channels for mass transfer of ethanol, and thus boosts the catalytic EOR performance. It has been confirmed that Rh not only reduces the oxidation potential of EOR, but also effectively facilitates the breakage of C─C bond. Stemming from structural and compositional advantages of the RhPt0.6‐MPS electrocatalyst, it exhibits the highest activity (2846.0 mA mg–1) for the EOR when compared with other RhPt‐MPS, Rh‐MPS, and Pt‐MPS electrocatalysts. It also delivers excellent stability and high selectivity than other electrocatalysts.