bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unveiling the Three Stages of Li Plating and Dynamic Evolution Processes in Pouch C/LiFePO4 Batteries
Authors: Lin Ying , Hu Wenxuan , Ding Meifang , Hu Yonggang , Peng Yufan , Liang Jinding , Wei Yimin , Fu Ang , Lin Jianrong , Yang Yong 
Published: June 2024

AbstractLi plating is widely known as the key factor leading to degradation and safety issues in lithium‐ion batteries (LIBs). Herein, the feasibility of monitoring the onset and progression of Li plating is proposed and justified in the graphite/LiFePO4 pouch cell by an operando impedance‐thickness combinational technique. First, as a proof‐of‐concept, the real‐time thickness/impedance variations of LIBs during charging at low temperature (≈0 °C) are obtained and dissected. Three distinct stages corresponding to different Li plating patterns are observed with the critical changing points of charge‐transfer resistance, which match well with the counterpoints in the differential thickness/capacity curves. Post‐mortem analysis by Mass Titration and Scanning Microscopy also indicate that these stages are Li intercalation, Li nucleation & nuclei growth, and Li dendrite growth, respectively. Thereafter, different cycling protocols are proposed and carried out to test the as‐mentioned Li plating processes by this novel technique. The results disclose that the extensive deposition of metallic Li significantly intensifies the loss of Li inventory, leading to cell aging or even a “capacity plunge”, and depict a safer boundary plot about preventing the occurrence of “Li plating” region. This work provides new insights on Li plating behavior and battery safety control under harsh operational conditions.
Lattice Strain and Charge Localization Dual Regulation of Phosphorus‐Doped CoSe2/MXene Catalysts Enable Kinetics‐Enhanced and Dendrite‐Free Lithium‐Sulfur Batteries
Authors: Wang Jing , Xu Yucong , Zhuang Yanhui , Li Yuhang , Chang Hao‐Hsiang , Min Huihua , Shen Xiaodong , Chen Han‐Yi , Yang Hao , Wang Jin 
Published: June 2024

AbstractPhase engineering is considered an effective strategy to regulate the electrocatalytic activity of catalysts for Li–S batteries (LSBs). However, the underlying origin of phase‐dependent catalytic ability remains to be determined, which significantly impedes the design principles of high‐performance catalytic materials for LSBs. Herein, heteroatom‐doped engineering can trigger phase transformation from mixed‐phased cubic and orthorhombic cobalt diselenide into pure orthorhombic structure with a tensile strain and enhanced charge localization. The upshift of the d‐band center and enhanced Bader charge at Se sites synergistically strengthen the interaction with Li and S sites in polysulfide species, thus endowing the transformed P‐MoSe2/MXene with high catalytic activity and uniform lithium deposition for LSBs. Consequently, the P‐CoSe2/MXene Li–S batteries demonstrate a high‐rate capability of 603 mAh g−1 at 4C, and an excellent cyclability of 652 mAh g−1 at 1C over 500 cycles with a degradation rate of 0.076% per cycle. The work provides an in‐depth insight into the fundamental design principles of effective catalysts for LSBs.
The diagnostic yield of genetic and metabolic investigations in syndromic and nonsyndromic patients with autism spectrum disorder, global developmental delay, or intellectual disability from a dedicated neurodevelopmental disorders genetics clinic
Authors: Postma Julianne K. , Harrison Mary‐Ann , Kutcher Stephen , Webster Richard J. , Cloutier Mireille , Bourque Danielle K. , Yu Andrea C. , Carter Melissa T. 
Published: June 2024

AbstractFirst‐tier genetic investigations for patients with neurodevelopmental disorders (NDDs) may include chromosomal microarray, Fragile X testing, and screening for inherited metabolic diseases, but most remain undiagnosed upon completion of testing. Here, we report the diagnostic yields of genetic testing for 537 patients with at least one of autism spectrum disorder, global developmental delay, and/or intellectual disability. Patients were assessed in a single neurodevelopmental genetics clinic, and each underwent a standardized history and physical examination. Each patient was characterized as syndromic or nonsyndromic based on clinical features. Our results demonstrate that multigene sequencing (with an NDD gene panel or exome) had a higher diagnostic yield (8%; 95% confidence interval [CI]: 5%, 13%) than chromosomal microarray and Fragile X testing combined (4%; 95% CI: 3%, 7%). Biochemical screening for inherited metabolic diseases had a diagnostic yield of zero. The diagnostic yield of genetic testing was significantly higher for syndromic patients than for nonsyndromic patients (odds ratio [OR] 3.09; 95% CI: 1.46, 6.83) and higher for female patients than for male (OR 3.21; 95% CI: 1.52, 6.82). These results add to the growing evidence supporting a comprehensive genetic evaluation that includes both copy number analysis and sequencing of known NDD genes for patients with NDDs.
Modulating the Microenvironments of Robust Metal Hydrogen‐Bonded Organic Frameworks for Boosting Photocatalytic Hydrogen Evolution
Authors: Lu Chong‐Jiu , Shi Wen‐Jie , Gong Yun‐Nan , Zhang Ji‐Hong , Wang Yu‐Chen , Mei Jian‐Hua , Ge Zhao‐Ming , Lu Tong‐Bu , Zhong Di‐Chang 
Published: June 2024

AbstractHydrogen‐bonded organic frameworks (HOFs) are outstanding candidates for photocatalytic hydrogen evolution. However, most of reported HOFs suffer from poor stability and photocatalytic activity in the absence of Pt cocatalyst. Herein, a series of metal HOFs (Co2‐HOF‐X, X=COOMe, Br, tBu and OMe) have been rationally constructed based on dinuclear cobalt complexes, which exhibit exceptional stability in the presence of strong acid (12 M HCl) and strong base (5 M NaOH) for at least 10 days. More impressively, by varying the ‐X groups of the dinuclear cobalt complexes, the microenvironment of Co2‐HOF‐X can be modulated, giving rise to obviously different photocatalytic H2 production rates, following the −X group sequence of −COOMe>−Br>−tBu>−OMe. The optimized Co2‐HOF‐COOMe shows H2 generation rate up to 12.8 mmol g−1 h−1 in the absence of any additional noble‐metal photosensitizers and cocatalysts, which is superior to most reported Pt‐assisted photocatalytic systems. Experiments and theoretical calculations reveal that the −X groups grafted on Co2‐HOF‐X possess different electron‐withdrawing ability, thus regulating the electronic structures of Co catalytic centres and proton activation barrier for H2 production, and leading to the distinctly different photocatalytic activity.
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

AbstractChloraminated 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

AbstractChalcones 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

AbstractThe 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

AbstractThis 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

AbstractUnsymmetric 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

AbstractBackground[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).MethodsPost 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).ResultsIn 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.ConclusionsIn 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

AbstractIn 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

AbstractBackgroundIn 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.MethodsThis 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.ResultsThe 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).ConclusionThis 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

AbstractDeveloping 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

AbstractMulticolor 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.