bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of distribution system water quality during a free chlorine conversion
Authors: Alexander Matthew T. , Woodruff Peyton , Mistry Jatin H. , Buse Helen Y. , Muhlen Christy , Lytle Darren A. , Pressman Jonathan G. , Wahman David G.
Published: June 2024

Chloraminated drinking water systems commonly use free chlorine conversions (FCCs) to prevent or control nitrification, but unintended water quality changes may occur, including increased disinfection by‐product and metal concentrations. This study evaluated water quality in a chloraminated drinking water system and residential locations before, during, and after their annual, planned FCC. Water quality alternated between relatively consistent and variable periods when switching disinfectants. During the FCC, regulated four trihalomethane and five haloacetic acid concentrations increased by four and seven times, respectively, and exceeded corresponding maximum contaminant levels. Implications of disinfection by‐product sampling during an FCC were assessed, and an approach to account for increased FCC disinfection by‐product concentrations was proposed. For metals, the FCC had minor impacts on distribution system concentrations and did not appear to impact residential concentrations. Overall, observed variable water quality appeared primarily associated with switching disinfectants and depended on distribution system hydraulics.
New Chalcone Ester Derivatives as Potential Cytotoxic Agents
Authors: da Silva Rafaela Binda , Borlot Jéssica Rodrigues Pereira Oliveira , Rosa Santos Carolina , Rodrigues e Oliveira Ligia , de Almeida Larissa Costa , Veras Costa‐Lotufo Leticia , Octávio Regasini Luís , Rezende Kitagawa Rodrigo , de Medeiros Edna Faria , de Souza Borges Warley
Published: June 2024

Chalcones are a group of molecules with recognized biological potential against many diseases, including cancer. Thus, studies on this structure and derivatives have become an attractive chemical strategy to optimize their observed biological activities. One of the synthetic routes used to obtain chalcone derivatives is esterification using either commercial acid chlorides or carboxylic acids. This work focuses on preparing chalcone derivatives and investigating their biological potential against cancer cells. Compound 3’‐hydroxychalcone (1) was synthetized by Claisen‐Schmidt condensation followed by esterification of the 3’‐OH, resulting in eight compounds named 1a–b and 2a–f. All structures were confirmed by 1H and 13C NMR and FT‐IR, and cytotoxicity was evaluated in the HCT 116 (colon adenocarcinoma), MCF‐7 (breast adenocarcinoma), and CCD‐18Co (nontumoral colon fibroblasts) cell lines. Chalcone derivatives were generally more active toward the colon cancer cell line, and 1a and 2b were selected for IC50 determination, presenting IC50 values of approximately 10 μM in HCT 116 cells and above 20 μM in both MCF7 and CDC‐18‐Co cells, suggesting moderate selectivity. Additionally, we tested compounds 1a and 2b in combination with doxorubicin, but they did not act synergistically with this anthracycline. In conclusion, considering these compounds obtained by the esterification reaction, 1a and 2d showed better results against cytotoxic cells.
Single Point Mutation Abolishes Water Capture in Germacradien‐4‐ol Synthase
Authors: González Requena Víctor , Srivastava Prabhakar L. , Miller David J. , Allemann Rudolf K.
Published: June 2024

The high‐fidelity sesquiterpene cyclase (−)‐germacradien‐4‐ol synthase (GdolS) converts farnesyl diphosphate into the macrocyclic alcohol (−)‐germacradien‐4‐ol. Site‐directed mutagenesis was used to decipher the role of key residues in the water control mechanism. Replacement of Ala176, located in the G1/2 helix, with non‐polar aliphatic residues of increasing size (valine, leucine, isoleucine and methionine) resulted in the accumulation of the non‐hydroxylated products germacrene A and germacrene D. In contrast, hydroxylation was maintained when the polar residues threonine, glutamine or aspartate replaced Ala176. Additionally, although a contribution of His150 to the nucleophilic water addition could be ruled out, the imidazole ring of His150 appears to assist carbocation stabilisation. The results presented here shed light on how hydroxylating sesquiterpene synthases can be engineered to design modified sesquiterpene synthases to reduce the need for further steps in the biocatalytic production of oxygenated sesquiterpenoids.
Recent Progress in our Understanding of the Degradation of Carbon‐Based Electrodes in Vanadium Redox Flow Batteries – Current Status and Next Steps
Authors: Remmler Nico , Bron Michael
Published: June 2024

This mini‐review summarises and discusses recent findings form the literature on the degradation of carbon‐based electrodes for vanadium redox flow batteries (VRFBs). It becomes evident that the focus of current investigations is on carbon paper, carbon felt and graphite felt electrodes, which is understandable from a practical point of view. However, the structural complexity of these materials often prohibits doubtless attribution of observed performance reduction (or increase) to changes in the electrode materials. Among the discussed major causes for degradation are formation or change of surface functional groups, changes in the carbon sp2/sp3 ratio, intercalation of ions as well as formation of inhibiting adsorbates. In order to gain deeper insight into the changes of carbon electrodes in VRFBs under relevant operation conditions, the authors suggest reducing complexity of the investigated materials and applying in situ‐studies under well‐defined and controllable conditions on model electrodes. These studies then should be extended towards more practical systems and may finally help to reduce degradation phenomena including enhanced overvoltages and thus could improve cycling and energy efficiency as well as long‐term stability of vanadium redox flow batteries.
Preparation and Optical and Electrochemical Properties of Boron (III) Octafluorosubphthalocyanines with One Triselenole and One Diselenet Ring
Authors: Kimura Takeshi , Nakahodo Tsukasa
Published: June 2024

Unsymmetric boron (III) subphthalocyanines with a triselenole ring or a diselenete ring and eight fluoro groups were prepared by the reaction of 5,6‐dicyano‐4,7‐diethylbenzo‐[1,2,3]triselenole and tetrafluorophthalonitrile with trichloroborane in xylene. The reaction was accompanied by a contraction of the triselenole ring to the diselenete ring. The substrate, dicyanobenzo[1,2,3]triselenole, was prepared by a new procedure via a photolytic demethylenation reaction of 3,7‐diethyl[1,3]diselenolophthalonitrile using a 10 W white LED light. While triselenolosubphthalocyanine was treated by triphenylphosphine to give the diselenete derivative, the reaction of diselenetosubphthalocyanine with Woolion's reagent produced the expanded triselenole ring. The diselenete derivative reacted with tetrakis(triphenylphosphine)platinum to yield the corresponding platinum complex with Se−Pt bonds. Q‐band absorption for the products appeared at around λmax=590 nm in the UV‐vis spectrum and weak emission was observed at about λe=620 nm. When diselenetosubphthalocyanine was treated with pentachloro antimonate in dichloromethane or sodium metal in hexane/tetrahydrofuran, the solution showed strong ESR signals. The structures of model compounds were optimized using the DFT method with the Gaussian 09 program at the B3LYP/6‐31G (d, p) level.
Correlation analyses of radiographic progression‐free survival with clinical and health‐related quality of life outcomes in metastatic castration‐resistant prostate cancer: Analysis of the phase 3 VISION trial
Authors: Morris Michael J. , de Bono Johann , Nagarajah James , Sartor Oliver , Wei Xiao X. , Nordquist Luke T. , Koshkin Vadim S. , Chi Kim N. , Krause Bernd J. , Herrmann Ken , Rahbar Kambiz , Vickers Adrian , Mirante Osvaldo , Ghouse Ray , Fizazi Karim , Tagawa Scott T.
Published: June 2024

Background

[177Lu]Lu–PSMA‐617 (177Lu‐PSMA‐617) plus protocol‐permitted standard of care (SOC) prolonged overall survival (OS) and radiographic progression‐free survival (rPFS) versus SOC in patients with prostate‐specific membrane antigen (PSMA)–positive metastatic castration‐resistant prostate cancer (mCRPC) in the phase 3 VISION study, in addition to beneficial effects on symptomatic skeletal events (SSEs) and health‐related quality of life (HRQOL).

Methods

Post hoc analyses used the full analysis set from the VISION study (N = 831) overall and by randomized treatment arm (177Lu‐PSMA‐617 plus SOC, n = 551; SOC, n = 280). Correlations were determined between OS and rPFS and between rPFS or OS and time to SSE or to worsening HRQOL (Functional Assessment of Cancer Therapy–Prostate [FACT‐P] and 5‐level EQ‐5D [EQ‐5D‐5L]). Correlation analyses used an iterative multiple imputation copula‐based approach (correlation coefficients [rho] of <0.3 were defined as weak, ≥0.3 and <0.5 as mild, ≥0.5 and <0.7 as moderate, and ≥0.7 as strong).

Results

In the overall population, rPFS correlated strongly with OS (rho, ≥0.7). Correlations between rPFS or OS and time to SSE without death were weak or mild. Time to worsening in the FACT‐P total score and emotional and physical well‐being domains correlated mildly or moderately with rPFS and moderately with OS. Correlation coefficients for time‐to‐worsening EQ‐5D‐5L scores were mild to moderate for both rPFS and OS. Correlation coefficients were similar between treatment arms.

Conclusions

In this analysis of the VISION study, rPFS correlated strongly with OS but not with time to SSE or worsening HRQOL. These findings require further investigation.
Efferent projections of Nps‐expressing neurons in the parabrachial region
Authors: Zhang Richie , Huang Dake , Gasparini Silvia , Geerling Joel C.
Published: June 2024

In the brain, connectivity determines function. Neurons in the parabrachial nucleus (PB) relay diverse information to widespread brain regions, but the connections and functions of PB neurons that express Nps (neuropeptide S, NPS) remain mysterious. Here, we use Cre‐dependent anterograde tracing and whole‐brain analysis to map their output connections. While many other PB neurons project ascending axons through the central tegmental tract, NPS axons reach the forebrain via distinct periventricular and ventral pathways. Along the periventricular pathway, NPS axons target the tectal longitudinal column and periaqueductal gray, then continue rostrally to target the paraventricular nucleus of the thalamus. Along the ventral pathway, NPS axons blanket much of the hypothalamus but avoid the ventromedial and mammillary nuclei. They also project prominently to the ventral bed nucleus of the stria terminalis, A13 cell group, and magnocellular subparafasciular nucleus. In the hindbrain, NPS axons have fewer descending projections, targeting primarily the superior salivatory nucleus, nucleus of the lateral lemniscus, and periolivary region. Combined with what is known already about NPS and its receptor, the output pattern of Nps‐expressing neurons in the PB region predicts roles in threat response and circadian behavior.
Identifying risk factors for severe omicron infection in allogeneic hematopoietic stem cell transplant recipients with hematologic malignancies
Authors: Li Zhihui , Wang Lei , Zheng Qinlong , Xu Teng , Yang Keyan , Wang Xianxuan , Wen Xiaopei , Zhang Caiyan , Wang Jingjing , Song Yanzhi , Zhao Yongqiang , Zheng Xiaoyu , Wu Tong
Published: June 2024

Background

In December 2022, a large‐scale epidemic occurred in China due to Omicron variant of SARS‐CoV‐2. This study explored risk factors for Omicron infection in transplant recipients at our institution and investigated the factors influencing the severity of SARS‐CoV‐2 Omicron infection among recipients of allo‐HSCT.

Methods

This single‐center study investigated totally 63 allogeneic hematopoietic stem cell transplant patients infected with Omicron variant at the Beijing GoBroad Boren Hospital Transplant Center during December 2022 and analyzed their risk factors.

Results

The study included 63 allogeneic hematopoietic stem cell transplant patients who developed Omicron infection. There were 34 mild and 29 moderate to severe cases. Their median age was 22 years (range, 1–65 years), with the male‐to‐female ratio being 1:1.1. Acute myeloid leukemia (53.97%), acute lymphoblastic leukemia (42.86%), and non‐Hodgkin lymphoma (3.17%) were underlying diseases. The median time between HCT and Omicron infection was 8.45 months. Significant predictive factors for moderate to severe Omicron infection included older age (p < .0001), cGVHD (p = .0195), concurrent bacterial infection (p < .0001), low absolute lymphocyte count (p = .026), low CD4/CD8 ratio (p = .0091), high CRP (p < .0001), high serum ferritin (p = .0023), high D‐dimer (p < .0001), low CD4 absolute count (p = .0057), and low B‐cell absolute count (p = .0154). A moderate to high HCT‐CI score tended to be associated with moderate to severe infection (p = .0596).

Conclusion

This study indicates that risk factors for severe Omicron infection include certain clinical characteristics, such as age, cGVHD, and inflammatory response.
Highly Efficient NiS/Ni(OH)x Heterogeneous Structure Electrocatalyst with Regenerative Oxygen Vacancies for Oxygen Evolution Reaction
Authors: Qin Yue , Xu Qingli , Zhao Rong , Wang Qingfa
Published: June 2024

Developing low‐cost and highly efficient electrocatalysts toward oxygen evolution reaction (OER) is of vital significance for electrochemical water splitting. Herein, we fabricate a heterostructure NiS/Ni(OH)x electrocatalyst (Ni‐S‐n) with regenerative oxygen vacancies via electro‐deposition on nickel foam (NF) followed by a facile NaBH4 reduction. The resulting Ni‐S‐5 catalyst with appropriate amount of oxygen vacancies (Ovs) exhibits extraordinary activity for alkaline OER with overpotential of 142 mV and 248 mV to reach the current density of 10 mA cm−2 and 100 mA cm−2, respectively. This catalyst also shows remarkable durability with 40 h. After the stability test, the excellent OER performance is well recovered by regenerating the surface oxygen vacancies (Ovs) significantly with additional NaBH4 reduction. The Ni‐S‐5 catalyst still displays good activity even after repeating it three times (180 h). The surface oxygen vacancies act as vital active sites for OER. A mechanism of Ovs species transformation and regeneration based on the Ni‐S‐5 catalyst is proposed, which provides a new direction for exploring ultrastable and efficient OER electrocatalysts with renewable active species.
Utility of leukocyte‐associated immunoglobulin‐like receptor‐1 (CD305) in flow cytometric detection of minimal bone marrow involvement by B‐cell non‐Hodgkin lymphoma
Authors: Singh Anu , Patil Jagruti , Ghogale Sitaram G. , Deshpande Nilesh , Girase Karishma , Shetye Navami , Rajpal Sweta , Chatterjee Gaurav , Patkar Nikhil , Jain Disha , Epari Sridhar , Shet Tanuja , Gujral Sumeet , Subramanian Papagudi G. , Tembhare Prashant R.
Published: June 2024

Multicolor flow cytometry (MFC) is crucial in detecting occult or minimal bone marrow (BM) involvement by non‐Hodgkin lymphomas (NHL), which may not be detected using trephine biopsy or imaging studies. Detection of low‐level BM involvement can be challenging without definite immunophenotypic aberrancies. We studied the utility of CD305 in MFC detection of minimal BM involvement by B‐NHL, especially in the absence of aberrancies by commonly used markers. The study included 1084 consecutive BM samples submitted for the staging of B‐NHLs (excluding CLL) over two years. Samples were studied for morphological, immunophenotypic, and histopathological assessment. MFC studies were performed using 10–13 color MFC, including CD305‐antibody (clone, DX26). Minimal BM involvement was defined with a cutoff of ≤10% lymphoma cells in viable cells on MFC assessment. Of 1084, 148 samples revealed overt morphological involvement by B‐NHL and were excluded from analysis. BM samples of 172/936 patients were morphologically negative but revealed involvement using MFC independently. Corresponding trephine biopsy involvement was detected in only 79/172 (45.9%) patients. On MFC, 23/172 samples showed BM involvement with >10% lymphoma cells, and 149/172 (86.6%) samples revealed minimal involvement. In 54/149 (36.24%) samples, lymphoma cells were detected only with aberrant loss of CD305 expression. In 78 of the remaining 95 samples (82.1%), it provided an immunophenotypic aberrancy addition to other markers and supported the results. CD305 is a highly useful marker in the flow cytometric assessment of minimal BM involvement by B‐NHL. MFC is a superior modality to trephine biopsy in detecting low‐level BM involvement.
Glimpse of past dynamics: A new set of phytoplankton primers for sedaDNA
Authors: Romahn Juliane , Baranski Damian , Schmidt Alexandra , Kaiser Jérôme , Arz Helge , Epp Laura S. , Kremp Anke , Bálint Miklós
Published: June 2024

Sedimentary ancient DNA (sedaDNA) offers an important opportunity for investigating long‐term community dynamics. Nevertheless, sedaDNA is challenging since DNA is degraded and fragmented over time. Of particular interest for such sedaDNA studies are phytoplankton communities, which are sensitive environmental indicators and important producers in aquatic systems. So far, only a few suitable metabarcoding primers for sedaDNA targeting phytoplankton exist. In this study, we introduce new metabarcoding primers targeting cyanobacteria and dinoflagellates. They amplify short, ~200‐bp ribosomal 16S and 18S DNA fragments. We compared these primers against published ones, uncovering distinct communities captured by different primer sets. The newly designed dinoflagellate and cyanobacterial primers revealed unique sets of amplicon sequence variants (ASVs) compared to published primers, highlighting the impact of primer choice on describing community composition. We also explored the effect of amplicon length on metabarcoding success over a sample age. Observed trends suggest that amplification success decreases with longer amplicons, probably as a result of DNA degradation in older sediment samples. Lastly, strong DNA preservation challenges emerged in sediment samples older than 7000 BP, corresponding with oxic phases of the Baltic Sea bottom water. This emphasizes the importance of age, sediment type, and preservation conditions when interpreting sedaDNA results. Despite limitations in temporal resolution, the study shows that sedaDNA‐based fluctuations in the phytoplankton community are consistent with well‐known environmental stages. More research is necessary to understand (1) DNA preservation and its impact on reconstructed communities and (2) impact of abiotic conditions on phytoplankton communities.
Sequential high‐dose methotrexate and cytarabine administration improves outcomes in real‐world patients with primary central nervous system lymphoma: A report from the Australasian Lymphoma Alliance
Authors: Tatarczuch Maciej , Lewis Katharine Louise , Gunjur Ashray , Shaw Briony , Poon Li Mei , Paul Erin , Ku Matthew , Wong Mark , Ai Sylvia , Beekman Ashley , Ciaccio Pietro R. Di , Krigstein Michael , Wight Joel , Coombes Caitlin , Gilbertson Michael , Tey Amanda , Shortt Jake , Nagarajan Chandramouli , Talaulikar Dipti , Hamad Nada , Ratnasingam Sumita , Ho Shir‐Jing , Cochrane Tara , Hawkes Eliza A. , Cheah Chan Y. , Opat Stephen , Gregory Gareth P.
Published: June 2024

Background

Despite recent advances, optimal therapeutic approaches applicable to subpopulations with primary central nervous system (CNS) lymphoma outside of clinical trials remain to be determined.

Methods

We performed a retrospective study of immunocompetent, adult patients with histologically confirmed diffuse large B‐cell lymphoma of the CNS (PCNSL). 190/204 (93%) patients (median age: 65) received one of five high‐dose methotrexate (HD‐MTX) containing chemotherapy regimens: MPV/Ara‐C (HD‐MTX, procarbazine, and vincristine, followed by cytarabine [Ara‐C]) (n = 94, 50%), MATRix (HD‐MTX, Ara‐C, thiotepa, and rituximab) (n = 19, 10%), HD‐MTX/Ara‐C (n = 31, 16%), HD‐MTX monotherapy (n = 35, 18%) and MBVP (HD‐MTX, carmustine, teniposide, prednisolone) (n = 11, 6%).

Results

Cumulative median HD‐MTX and Ara‐C doses were 17 g/m2 (range: 1–64 g/m2) and 12 g/m2 (0–32 g/m2) respectively. Using 14 g/m2 as the reference dose, the median HD‐MTX relative dose intensity (HD‐MTX‐RDI) was 1.25 (0.27‐4.57) with 84% receiving > 0.75. The overall response rate (ORR) was 72% (complete response: 50%) after completing HD‐MTX. At a median follow‐up of 3.41 years (0.06–9.42), progression‐free survival (PFS) and overall survival (OS) were different between chemotherapy cohorts, with the best outcomes achieved in the MPV/Ara‐C cohort (2‐year PFS 74%, 2‐year OS 82%; p = 0.0001 and p = 0.0024 respectively). On multivariate analysis, MPV/Ara‐C administration and HD‐MTX‐RDI > 0.75 were associated with longer PFS and OS.

Conclusion

Sequential, response‐adapted approaches can improve outcomes, even in older patients who are ineligible for a high‐intensity concurrent chemotherapy approach and do not undergo traditional consolidative strategies.
Alzheimer's Disease Clinical Trials: What Have We Learned From Magnetic Resonance Imaging
Authors: By Samantha , Kahl Anja , Cogswell Petrice M.
Published: June 2024

Alzheimer's disease (AD) is the leading cause of cognitive impairment and dementia worldwide with rising prevalence, incidence and mortality. Despite many decades of research, there remains an unmet need for disease‐modifying treatment that can significantly alter the progression of disease. Recently, with United States Food and Drug Administration (FDA) drug approvals, there have been tremendous advances in this area, with agents demonstrating effects on cognition and biomarkers. Magnetic resonance imaging (MRI) plays an instrumental role in these trials. This review article aims to outline how MRI is used for screening eligibility, monitoring safety and measuring efficacy in clinical trials, leaning on the landscape of past and recent AD clinical trials that have used MRI as examples; further, insight on promising MRI biomarkers for future trials is provided.

Level of Evidence

1.

Technical Efficacy

Stage 4.
Effect of patient specificity on predicting knee cartilage degeneration in obese adults: Musculoskeletal finite‐element modeling of data from the CAROT trial
Authors: Orozco Gustavo A. , Stenroth Lauri , Esrafilian Amir , Tanska Petri , Mononen Mika E. , Henriksen Marius , Alkjær Tine , Korhonen Rami K. , Isaksson Hanna
Published: June 2024

Obesity is a known risk factor for development of osteoarthritis (OA). Numerical tools like finite‐element (FE) models combined with degenerative algorithms have been developed to understand the interplay between OA and obesity. In this study, we aimed to predict knee cartilage degeneration in a cohort of obese adults to investigate the importance of patient‐specific information on degeneration predictions. We used a validated FE modeling approach and three different age‐dependent functions (step‐wise, exponential, and linear) to simulate cartilage degradation under overloading in the knee joint. Gait motion analysis and magnetic resonance imaging data from 115 obese individuals with knee OA were used for musculoskeletal and FE modeling. Cartilage degeneration predictions were contrasted with Kellgren–Lawrence (KL) and Boston–Leeds Osteoarthritis Knee Score (BLOKS) grades. The findings show that overall, the similarities between numerical predictions and clinical measures were better for the medial (average area under the curve (AUC) = 0.62) compared to the lateral compartment (average AUC = 0.52) of the knee. Classification results for KL grades, full patient‐specific models and patient‐specific geometry with generic gait data showed higher AUC values (AUC = 0.71 and AUC = 0.68, respectively) compared to generic geometry and patient‐specific gait (AUC = 0.48). For BLOKS grades, AUC values for both full patient‐specific models and for patient‐specific geometry with generic gait locomotion were higher (AUC  = 0.66 and AUC = 0.64, respectively) compared to when the generic geometry and patient‐specific gait were used (AUC = 0.53). In summary, our study highlights the importance of considering individual information in knee OA prediction. Nevertheless, our findings suggest that personalized gait play a smaller role in the OA prediction and classification capacity than personalized joint geometry.
A novel method combining deep learning with the Kennard–Stone algorithm for training dataset selection for image‐based rice seed variety identification
Authors: Jin Chen , Zhou Xinyue , He Mengyu , Li Cheng , Cai Zeyi , Zhou Lei , Qi Hengnian , Zhang Chu
Published: June 2024

BACKGROUND

Different varieties of rice vary in planting time, stress resistance, and other characteristics. With advances in rice‐breeding technology, the number of rice varieties has increased significantly, making variety identification crucial for both trading and planting.

RESULTS

This study collected RGB images of 20 hybrid rice seed varieties. An enhanced deep super‐resolution network (EDSR) was employed to enhance image resolution, and a variety classification model utilizing the high‐resolution dataset demonstrated superior performance to that of the model using the low‐resolution dataset. A novel training sample selection methodology was introduced integrating deep learning with the Kennard–Stone (KS) algorithm. Convolutional neural networks (CNN) and autoencoders served as supervised and unsupervised feature extractors, respectively. The extracted feature vectors were subsequently processed by the KS algorithm to select training samples. The proposed methodologies exhibited superior performance over the random selection approach in rice variety classification, with an approximately 10.08% improvement in overall classification accuracy. Furthermore, the impact of noise on the proposed methodology was investigated by introducing noise to the images, and the proposed methodologies maintained superior performance relative to the random selection approach on the noisy image dataset.

CONCLUSION

The experimental results indicate that both supervised and unsupervised learning models performed effectively as feature extractors, and the deep learning framework significantly influenced the selection of training set samples. This study presents a novel approach for training sample selection in classification tasks and suggests the potential for extending the proposed method to image datasets and other types of datasets. Further exploration of this potential is warranted. © 2024 Society of Chemical Industry.
The lifetime improvement of organic light‐emitting diodes with poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate on indium‐tin‐oxide surface and deuterated dopant in emitting layer
Authors: Juang Fuh‐Shyang , Lin Yi‐Jing , Li Yi‐Sheng , Chen Hong‐Kai , Tuan Yu‐Hsin , Tsai Jay‐Teng , Tsai Yu‐Sheng
Published: June 2024

In this study, the PEDOT:PSS conductive polymer material was spin‐coated on the ITO surface to improve the surface roughness of the ITO and reduce the spikes on the ITO surface, so as to avoid the burning spots generated in the green organic light emitting diode (OLED) when the voltage was applied to light it up. The OLED emitting is successfully survived. Deuterium atoms (isotopes of hydrogen) with heavier atomic weights can strengthen C‐D bonds, slow down the kinetic rate for unwarranted chemical reactions, and improve the performance and stability of OLEDs. In this study, deuterated D‐Ir (mppy)3 was employed as the dopant in the emitting layer of green OLED to replace the general Ir (mppy)3 to improve the optoelectronic properties and extend the lifetime of green OLED. At a constant voltage of 4 V, the initial luminance and half lifetime of general Ir (mppy)3 doped and deuterated D‐Ir (mppy)3 doped OLEDs are 188.1 cd/m2, 7.2 h and 438.3 cd/m2, 42.8 h, respectively. It is shown that doping the deuterated D‐Ir (mppy)3 material in the emitting layer has the effect of prolonging the lifetime of OLED. Compared with the general Ir (mppy)3, the lifetime of deuterated D‐Ir (mppy)3 doped OLED achieved an extension by 5.9 times.
Visceral fat area and subcutaneous fat area as measures of body composition in soft tissue sarcoma
Authors: Garibay Eric Robles , Cruz Sylvia M. , Judge Sean J. , Monjazeb Arta M. , Thorpe Steven W. , Murphy William J. , Lyu Jing , Chen Shuai , Bateni Cyrus P. , Canter Robert J.
Published: June 2024

Background and Objectives

Soft tissue sarcomas (STS) are a heterogenous group of malignancies of mesenchymal origin. Given recent data linking obesity as well as the pattern of fat distribution with cancer outcomes, we sought to investigate the association of visceral fat area (VFA) and subcutaneous fat area (SFA) with oncologic outcomes in patients with STS undergoing surgery.

Methods

We analyzed data from 88 patients with STS diagnosed from 2008 to 2022. Predictor variables included body mass index (BMI), VFA, and SFA. VFA and SFA were obtained from computed tomography of the abdomen and pelvis. Univariable and multivariable Cox regression analysis was used to analyze associations between predictor variables and overall survival and recurrence‐free survival.

Results

Although BMI was closely correlated with VFA (r = 0.69, p < 0.0001) and SFA (r = 0.80, p < 0.0001), there was no significant association between high BMI, VFA or SFA, and worse oncologic outcomes.

Conclusions

Although VFA and SFA are strongly correlated with BMI, we did not observe BMI nor imaging metrics of fat composition to be associated with worse oncologic outcomes. Further research is needed to elucidate any links between body fat content and metabolic or immune factors governing oncologic outcomes in STS.
Development and validation of a simultaneous quantitative analytical method for two Alternaria toxins and their metabolites in plasma and urine using ultra‐high‐performance liquid chromatography‐tandem mass spectrometry
Authors: Zhang Dan , Liu Bolin , Xiao Tingting , Wang Yan , Zhao Ziwei , Xie Ji'an , Li Weidong , Li Rui , Cui Jie
Published: June 2024

Much more attention has been paid to the contamination of Alternaria toxins because of food contamination and the threat to human health. In this study, an ultra‐high‐performance liquid chromatography‐tandem mass spectrometry method was developed for the simultaneous detection of the prototypical alternariol, alternariol monomethylether, and the metabolites 4‐oxhydryl alternariol, and alternariol monomethylether 3‐sulfate ammonium salt of Alternaria toxins. The positive samples were used as matrix samples to optimize the different experimental conditions. 0.01% formic acid solution and acetonitrile were used as the mobile phase, and analytes were scanned in negative electron spray ionization under multiple reaction monitoring, and quantitative determination by isotope internal standard method. Application of this method to samples of human plasma and urine showed the detection of the above analytes. The results showed that the recoveries were from 80.40% to 116.4%, intra‐day accuracy was between 0.6% and 8.0%, and inter‐day accuracy was between 1.1% and 12.1%. The limit of detection of the four analytes ranged from 0.02 to 0.6 µg/L in urine, and 0.02 to 0.5 µg/L in plasma, respectively. Thus, the developed method was rapid and accurate for the simultaneous detection of analytes and provided a theoretical basis for the risk assessment of Alternaria toxins for human exposure.
A Novel Ultrasound Method of Evaluating Dynamic Extrusion of Lateral Meniscus in Healthy Population
Authors: Meng Xiang‐yu , Li Zhi‐qiang , Ding Hong‐fu , Wang Ding‐yu , Dai Ling‐hui , Jiang Dong
Published: June 2024

Objectives

To establish a reliable ultrasound (US) method of evaluating dynamic extrusion of lateral meniscus in healthy population, and to investigate the pattern of dynamic meniscus extrusion (ME) in lateral meniscus under loading conditions.

Methods

The lateral ME was examined via US method in unloaded, double‐leg standing, and single‐leg standing positions. Two different US measurement methods were compared to the magnetic resonance imaging (MRI) results to determine the optimal measurement methods. The US results obtained by different researchers were tested for interobserver consistency and the results obtained by the same researcher on two separate days were tested for intraobserver consistency. The patterns of dynamic extrusion were compared between medial and lateral sides.

Results

A total of healthy 44 volunteers were included in the study, with 86 knees assessed by US, and 25 knees evaluated by MRI. The US evaluation of dynamic lateral ME demonstrated excellent interobserver and intraobserver reliability. The US measurements using method A were consistent with the MRI results with no significant difference (P = .861, intraclass correlation coefficient [ICC] = 0.868), while method B underestimated the lateral ME compared to MRI (P = .001, ICC = 0.649). Lateral ME decreased slightly from unloaded (1.0 ± 0.8 mm) to single‐leg standing position (0.8 ± 0.8 mm), whereas medial ME increased significantly in both double‐leg and single‐leg standing positions (2.4 ± 0.7 mm, 2.6 ± 0.7 mm).

Conclusion

A novel US evaluation method of lateral ME was established with reliable and accurate results compared to the MRI. Lateral ME in healthy populations decreased slightly as the loadings increased, which was different from the pattern of dynamic extrusion in medial meniscus.
Microstructure Evolution of Reactive Polyurethane Films During In Situ Polyaddition and Film‐Formation Processes
Authors: Duan Huimin , Li Shuli , Zhao Jinbiao , Yang Hao , Tang Heyang , Qi Dongming , Huang Zhichao , Xu Xinxin , Shi Lei , Müller‐Buschbaum Peter , Zhong Qi
Published: June 2024

Due to the advantages of low energy consumption, no air and water pollutions, the reactive polyurethane films (RPUFs) are replacing the solvated and waterborne PUFs nowadays, which significantly promotes the green and low‐carbon production of PU films. However, the microstructure evolution and in situ film‐formation mechanism of RPUFs in solvent‐free media are still unclear. Herein, according to time‐temperature equivalence principle, the in situ polyaddition and film‐formation processes of RPUFs generated by the typical polyaddition of diisocyanate terminated prepolymer (component B) and polyether glycol (component A) are thoroughly investigated at 25 °C. According to the temporal change of viscosity, the RPUFs gradually transfer from liquid to gel and finally to solid state. Further characterizing the molecular weight, hydrogen bonds, crystallinity, gel content, and phase images, the polyaddition and film‐formation processes can be divided into three stages as 1) chain extension and microcrystallization; 2) gelation and demicrocrystallization; 3) microphase separation and film‐formation. This work promotes the understanding of the microstructure evolution and film‐formation mechanism of RPUFs, which can be used as the theoretical guidance for the controllable preparation of high‐performance products based on RPUFs.
Synthesis of Intrinsically‐Fluorescent Aliphatic Tautomeric Polymers for Proton‐Conductivity, Dual‐State Emission, and Sensing/Oxidation‐Reduction of Metal Ions
Authors: Hassan Nadira , Sanfui MD Hussain , Chowdhury Deepak , Roy Shrestha , Ghosh Narendra Nath , Rahaman Mostafizur , Chang Mincheol , Hasnat Mohammad A. , Chattopadhyay Pijush Kanti , Singha Nayan Ranjan
Published: June 2024

Herein, fluorescent conducting tautomeric polymers (FCTPs) are developed by polymerizing 2‐methylprop‐2‐enoic acid (MPEA), methyl‐2‐methylpropenoate (MMP), N‐(propan‐2‐yl)prop‐2‐enamide (PPE), and in situ‐anchored 3‐(N‐(propan‐2‐yl)prop‐2‐enamido)‐2‐methylpropanoic acid (PPEMPA). Among as‐synthesized FCTPs, the most promising characteristics in FCTP3 are confirmed by NMR and Fourier transform infrared (FTIR) spectroscopies, luminescence enhancements, and computational studies. In FCTP3, ─C(═O)NH─, −C(═O)N<, ─C(═O)OH, and ─C(═O)OCH3 subluminophores are identified by theoretical calculations and experimental analyses. These subluminophores facilitate redox characteristics, solid state emissions, aggregation‐enhanced emissions (AEEs), excited‐state intramolecular proton transfer (ESIPT), and conductivities in FCTP3. The ESIPT‐associated dual emission/AEEs of FCTP3 are elucidated by time correlated single photon counting (TCSPC) investigation, solvent polarity effects, concentration‐dependent emissions, dynamic light scattering (DLS) measurements, field emission scanning electron microscopy images, and computational calculations. The cyclic voltammetry measurements of FCTP3 indicate cumulative redox efficacy of ─C(═O)OH, ─C(═O)NH─/−C(═O)N<, ─C(─O─)═NH+─/─C(─O─)═N+, and ─C(═N)OH functionalities. In FCTP3, ESIPT‐associated dual‐emission enable in the selective detection of Cr(III)/Cu(II) at λem1/λem2 with the limit of detection of 0.0343/0.079 ppb. The preferential interaction of Cr(III)/Cu(II) with FCTP3 (amide)/FCTP3 (imidol) and oxidation/reduction of Cr(III)/Cu(II) to Cr(VI)/Cu(I) are further supported by NMR‐titration; FTIR and X‐ray photoelectron spectroscopy analyses; TCSPC/electrochemical/DLS measurement; alongside theoretical calculations. The proton conductivity of FCTP3 is explored by electrochemical impedance spectroscopy and I–V measurements.
Best of both worlds: An expansion of the state of the art pKa model with data from three industrial partners
Authors: Fraczkiewicz Robert , Quoc Nguyen Huy , Wu Newton , Kausch‐Busies Nina , Grimbs Sergio , Sommer Kai , ter Laak Antonius , Günther Judith , Wagner Björn , Reutlinger Michael
Published: June 2024

In a unique collaboration between Simulations Plus and several industrial partners, we were able to develop a new version 11.0 of the previously published in silico pKa model, S+pKa, with considerably improved prediction accuracy. The model's training set was vastly expanded by large amounts of experimental data obtained from F. Hoffmann‐La Roche AG, Genentech Inc., and the Crop Science division of Bayer AG. The previous v7.0 of S+pKa was trained on data from public sources and the Pharmaceutical division of Bayer AG. The model has shown dramatic improvements in predictive accuracy when externally validated on three new contributor compound sets. Less expected was v11.0’s improvement in prediction on new compounds developed at Bayer Pharma after v7.0 was released (2013–2023), even without contributing additional data to v11.0. We illustrate chemical space coverage by chemistries encountered in the five domains, public and industrial, outline model construction, and discuss factors contributing to model's success.
A probable case of multiple osteochondromas in a Qing period (1644–1911) individual from Shandong, China
Authors: Zhou Yawei , Xi Fanhao , Zhao Fangchao , Berger Elizabeth
Published: June 2024

This article aims to understand the impact of a condition causing multiple benign neoplasms on a historical individual, and increase understanding of disease processes using a paleopathological case. We present the case of an adult male from the Balizhuang site in Weifang City, Changle County, Shandong Province, China, dated by the burial artifacts to the Qing period (1644–1911 CE). The individual has multiple bony growths found on both long and flat bones, which were also observed radiographically. Imaging revealed that the lesions show continuity with the medullary cavity of the host bone. The individual also exhibited short stature, upper limb length asymmetry, and hip and ankle deformities. Conditions included in a differential diagnosis are myositis ossificans, parosteal osteosarcoma, and osteochondroma, with multiple osteochondromas (MO) being the most likely diagnosis. We also present historical texts suggesting the presence of osteochondromas in China. This may be the first case of adult MO reported in Chinese bioarcheology, helping to expand paleopathological data on benign tumors.
Does reciprocal peer observation promote the transfer of learning to teaching practice?
Authors: Flores Marta , Sala‐Bars Íngrid , Ortiz Maite , Duran David
Published: June 2024

This paper investigates whether Reciprocal Peer Observation is an effective practice for promoting Teacher Professional Development. It focuses on analysing the Improvement Goals transfer processes stemming from teachers' own educational approach, which teachers identify during Reciprocal Peer Observation. A total of 230 teachers, paired together, conducted a second classroom observation, focused on a specific Improvement Goals to assess the extent of their transfer. The findings indicate that Improvement Goals transfer to classroom practice occurs predominantly. The study analyses predictive and facilitating factors that contribute to this process. The results reveal that collaborative culture and collective agency are predictive factors for transfer. Similarly, personal factors arising from reflection and awareness of one's own practices, alongside the support of the partner, could promote the identified processes of improvement. In conclusion, Reciprocal Peer Observation can be regarded as a highly effective practice for identifying Improvement Goals and transferring them to the classroom, benefiting Teacher Professional Development.
Novel herbicide flusulfinam: absolute configuration, enantioseparation, enantioselective bioactivity, toxicity and degradation in paddy soils
Authors: Liu Shiling , Li Xiaoli , Zhu Junqi , Liang Liying , Zhang Heng , Liao Ying , Li Jiaheng , Lian Lei , Tan Huihua , Zhao Feng
Published: June 2024

BACKGROUND

Flusulfinam, a novel chiral herbicide, effectively controls Echinochloa crusgalli and Digitaria sanguinalis in paddy fields, indicating significant potential for practical agricultural applications. However, limited information is available on flusulfinam from a chiral perspective. A comprehensive evaluation of the enantiomeric levels of flusulfinam was performed.

RESULTS

Two enantiomers, R‐(+)‐ and S‐(−)‐flusulfinam, were separately eluted using a Chiralcel OX‐RH column. The bioactivity of R‐flusulfinam against the two was 1.4–3.1 fold that of Rac‐flusulfinam against two weed species. R‐flusulfinam toxicity to Danio rerio larvae and Selenastrum capricornutumwere was 0.8‐ and 3.0‐fold higher than Rac‐flusulfinam, respectively. Degradation experiments were conducted using soil samples from four Chinese provinces. The findings indicated that S‐flusulfinam (half‐life T1/2 = 40.8 days) exhibits preferential degradation than R‐flusulfinam (T1/2 = 46.2–57.8 days) in the soils of three provinces. Under anaerobic conditions, soil from Anhui exhibited preferential degradation of R‐flusulfinam (T1/2 = 46.2 days) over S‐flusulfinam (T1/2 = 63 days). Furthermore, two hydrolysis products of flusulfinam (M299 and M100) are proposed for the first time.

CONCLUSION

The enantioselective bioactivity, toxicity and degradation of flusulfinam were investigated. Our findings indicate that R‐flusulfinam is an extremely effective and low‐toxicity enantiomer for the tested species. The soil degradation test indicated that the degradation of flusulfinam was accelerated by higher organic matter content and lower soil pH. Furthermore, microbial communities may play a crucial role in driving the enantioselective degradation processes. This study lays the groundwork for the systematic evaluation of flusulfinam from an enantiomeric perspective. © 2024 Society of Chemical Industry.
Strain‐Induced Selective Active Gas Sensor Based on Fe‐Loaded Black Phosphorus
Authors: Huang Zongyu , Chen Xi , Luo Chaobo , Zhang Shenrui , Cui Yongxiang , Guo Gencai , Zhong Jianxin , Qi Xiang
Published: June 2024

The possibility of Fe loaded on BP (Fe@BP) as an efficient gas sensor for the detection of toxic gases such as NO2, NO, and CO is studied by the first‐principles calculation, and it is proposed that Fe@BP is an excellent gas‐sensitive material. The adsorption behaviors of gases on Fe@BP were analyzed in terms of adsorption configurations and electronic properties. It is found that all gases adsorbed on Fe@BP exhibit significantly enhanced interactions, and the adsorption intensity is much larger than that of molecules adsorbed on the surface of pure BP. Fe@BP has high selectivity for toxic and ambient gas molecules. In addition, the adsorption strength of NO2 and NO molecules on Fe@BP increases after compression strain is applied (within −3%), while the adsorption strength of CO decreases gradually. After the tensile strain is applied, the adsorption intensity of NO2 and NO is decreased, but that of CO is increased gradually. It is speculated that the strain causes changes in the electronic structure, which affects the adsorption behavior. The adsorption of NO has a stronger strain sensitivity. For these reasons, Fe@BP with high adsorption strength and strain selection is the ideal gas‐sensitive material.
Inductance and Q‐Factor of Micromagnetic Inductor Are Enhanced by FeCoB Films with Self‐Bias
Authors: Sun Chao , Qiu Dalong , Li Peng , Yao Zhao , Zong Weihua , Li Shandong
Published: June 2024

As technology progresses, the operational frequencies of electronic devices have migrated into the GHz range. As an important electronic device, the compatibility of the preparation process of inductors with integrated circuits also needs to be improved. Currently, most commercial inductors are constructed from ferrite materials, making them challenging to integrate with integrated circuits. Herein, FeCoB films with a self‐biased ferromagnetic frequency up to 21 GHz are deposited on Si substrates using the compositional gradient sputtering method as a magnetic underlayer. A reasonable inductance structure is designed using HFSS simulation software. A series of planar spiral inductors with various turns are fabricated by photolithographic micromachining on the FeCoB films with a polyimide insertion between them. The preparation process is completely based on semiconductor technology and has good compatibility with integrated circuits. The results show that the inductance L and quality factor Q are greatly improved by the introduction of high‐frequency FeCoB film. The inductance is improved by 71% and the quality factor is improved by 166%. This clearly demonstrates that FeCoB thin films are highly suitable for use as inductor cores and can be seamlessly integrated with integrated circuits, offering excellent prospects for use in high‐frequency integrated circuits.
A Study on the Possible Link of Brucellosis to Increased Stillbirths in the Maltese Islands from 1919 to 1954
Authors: Tripp Lianne , Sawchuk Larry A. , Samarakoon Mahinda
Published: June 2024

Background

Human brucellosis, otherwise known as undulant fever, is one of the most widespread zoonotic diseases in the world. Even though 9%–15% of stillbirths are known to be caused by infectious diseases, the study of the link between human Brucella melitensis and the termination of births in humans is a topic that has received little attention. This study examines if there was an association between infection of undulant fever, an endemic zoonotic disease in the Maltese Islands from 1919 until 1954, and reproductive loss through stillbirths.

Methods

A univariate descriptive analysis was used to show the temporal trend of undulant fever time, as well as the age and sex distribution. Time series analysis was used to assess the relationship between time (months) and undulant fever cases with stillbirth proportions.

Results

On the island of Gozo, the majority of undulant fever cases for both males and females occurred in their reproductive period between 15 and 45 years of age. Based on regression analysis, undulant fever had a statistically significant effect on the stillbirth rate for males (t = 2.8986, p = 0.0039). The effect of undulant fever on stillbirths was not significant for females (p = 0.9103).

Conclusion

This paper highlights the importance of undulant fever as having implications for the health burden in pregnant women and potential fetal loss through stillbirths in the contemporary context.