bluuebunny/crossref_metadata_2025_split huggingface dataset:
Newborn screening for neurodevelopmental diseases: Are we there yet?
Authors: Chung Wendy K. , Berg Jonathan S. , Botkin Jeffrey R. , Brenner Steven E. , Brosco Jeffrey P. , Brothers Kyle B. , Currier Robert J. , Gaviglio Amy , Kowtoniuk Walter E. , Olson Colleen , Lloyd‐Puryear Michele , Saarinen Annamarie , Sahin Mustafa , Shen Yufeng , Sherr Elliott H. , Watson Michael S. , Hu Zhanzhi 
Published: July 2022

AbstractIn the US, newborn screening (NBS) is a unique health program that supports health equity and screens virtually every baby after birth, and has brought timely treatments to babies since the 1960's. With the decreasing cost of sequencing and the improving methods to interpret genetic data, there is an opportunity to add DNA sequencing as a screening method to facilitate the identification of babies with treatable conditions that cannot be identified in any other scalable way, including highly penetrant genetic neurodevelopmental disorders (NDD). However, the lack of effective dietary or drug‐based treatments has made it nearly impossible to consider NDDs in the current NBS framework, yet it is anticipated that any treatment will be maximally effective if started early. Hence there is a critical need for large scale pilot studies to assess if and how NDDs can be effectively screened at birth, if parents desire that information, and what impact early diagnosis may have. Here we attempt to provide an overview of the recent advances in NDD treatments, explore the possible framework of setting up a pilot study to genetically screen for NDDs, highlight key technical, practical, and ethical considerations and challenges, and examine the policy and health system implications.
Tug‐of‐War between Two Distinct Catalytic Sites Enables Fast and Selective Ring‐Opening Copolymerizations
Authors: Wang Jianqun , Zhu Yinuo , Li Maosheng , Wang Yanchao , Wang Xianhong , Tao Youhua 
Published: July 2022

AbstractRing‐opening copolymerizations have emerged as a powerful approach towards the creation of sustainable polymers. Typical H‐bonding catalysts for ring‐opening are subject to a single catalytic site. Here we describe a H‐bond‐donor/Lewis‐acidic‐boron organocatalyst featuring two distinct catalytic sites in one molecule. The ring‐opening copolymerization of epoxides with anhydride mediated by these modular, and tunable catalysts achieves high selectivity (>99 % polyester selectivity) and markedly higher activity compared to either of the di‐thiourea analogues or any combinations of them. Calculations and experimental studies reveal that the superior catalytic performance arises from tug‐of‐war between two differentiated catalytic sites: thiourea pulls off the propagating chain‐end from boron center, simultaneously enhancing the role of monomer activation and also nucleophilicity of the propagation intermediates.
Nanoelectrochemistry Reveals Selective Interactions of Perfluoroalkyl Substances (PFASs) with Silver Nanoparticles
Authors: Khan Reem , Andreescu Daniel , Hassan Mohamed H. , Ye Jingyun , Andreescu Silvana 
Published: July 2022

AbstractNanoelectrochemistry allows for the investigation of the interaction of per‐ and polyfluoroalkyl substances (PFASs) with silver nanoparticles (AgNPs) and the elucidation of the binding behaviour of PFASs to nanoscale surfaces with high sensitivity. Mechanistic studies supported by single particle collision electrochemistry (SPCE), spectroscopic and density functional theory (DFT) calculations indicate the capability of polyfluorooctane sulfonic acid (PFOS), a representative PFAS, to selectively bind and induce aggregation of AgNPs. Single‐particle measurements provide identification of the “discrete” AgNPs agglomeration (e.g. 2–3 NPs) formed through the inter‐particles F−F interactions and the selective replacement of the citrate stabilizer by the sulfonate of the PFOS. Such interactions are characteristic only for long chain PFAS (‐SO3−) providing a means to selectively identify these substances down to ppt levels. Measuring and understanding the interactions of PFAS at nanoscale surfaces are crucial for designing ultrasensitive methods for detection and for modelling and predicting their interaction in the environment.
H2O2‐Responsive NIR‐II AIE Nanobomb for Carbon Monoxide Boosting Low‐Temperature Photothermal Therapy
Authors: Ma Gongcheng , Liu Zhongke , Zhu Chunguang , Chen Huajie , Kwok Ryan T. K. , Zhang Pengfei , Tang Ben Zhong , Cai Lintao , Gong Ping 
Published: July 2022

AbstractLow‐temperature photothermal therapy (PTT), which circumvents the limitations of conventional PTT (e.g., thermotolerance and adverse effects), is an emerging therapeutic strategy which shows great potential for future clinical applications. The expression of heat shock proteins (HSPs) can dramatically impair the therapeutic efficacy of PTT. Thus, inhibition of HSPs repair and reducing the damage of nearby normal cells is crucial for improving the efficiency of low‐temperature PTT. Herein, we developed a nanobomb based on the self‐assembly of NIRII AIE polymer PBPTV and carbon monoxide (CO) carrier polymer mPEG(CO). This smart nanobomb can be exploded in a tumor microenvironment in which hydrogen peroxide is overexpressed and release CO into cancer cells to significantly inhibit the expression of HSPs and hence improve the antitumor efficiency of the low‐temperature PTT.
Discovery of novel α‐carboline derivatives as glycogen synthase kinase‐3β inhibitors for the treatment of Alzheimer's disease
Authors: Chen Huanhua , Yu Chong , Liu Wenjie , Zhu Chengze , Jiang Xiaowen , Xu Chang , Liu Wenwu , Huang Yaoguang , Xu Zihua , Zhao Qingchun 
Published: July 2022

AbstractAlzheimer's disease (AD) is a chronic and progressive neurodegenerative disease, characterized by irreversible cognitive impairment, memory loss, and behavioral disturbances, ultimately resulting in death. The critical roles of glycogen synthase kinase‐3β (GSK‐3β) in tau pathology have also received considerable attention. Based on molecular docking studies, a series of novel α‐carboline derivatives were designed, synthesized, and evaluated as GSK‐3β inhibitors for their various biological activities. Among them, compound ZCH‐9 showed the most potent inhibitory activity against GSK‐3β, with an IC50 value of 1.71 ± 0.09 µM. The cytotoxicity assay showed that ZCH‐9 had low cytotoxicity toward the cell lines SH‐SY5Y, HepG2, and HL‐7702. Moreover, Western blot analysis indicated that ZCH‐9 effectively inhibited hyperphosphorylation of the tau protein in okadaic acid‐treated SH‐SY5Y cells. The binding mode between ZCH‐9 and GSK‐3β was analyzed and further clarified throughout the molecular dynamics simulations. In general, these results suggested that the α‐carboline‐based small‐molecule compounds could serve as potential candidates targeting GSK‐3β for the treatment of AD.
Lipophilicity prediction of three photosensitizers by liquid–liquid extraction, HPLC, and DFT methods
Authors: Myrzakhmetov Bauyrzhan , Honorien Jonathan , Arnoux Philippe , Fournet René , Tsoy Irina , Frochot Céline 
Published: July 2022

AbstractPhotodynamic therapy (PDT) is a method of treating precancerous diseases and malignant neoplasms. The efficacy of PDT depends on different parameters such as light dosimetry, oxygen availability, and photophysical and physical–chemical properties of the photosensitizer. In PDT, a photosensitizer is activated using light to promote oxygen photosensitization and cellular transport plays a key role in the reach of it to the desired tissue. In particular, to know the effectiveness of the drug delivery in PDT and its dosage forms to target damaged organs, along with such characteristics as water solubility, it is important to know the ability of a substance to penetrate through cell membrane or accumulate in it. Lipophilicity is used to quantify the earlier‐described abilities. We evaluated the lipophilicity of three selected photosensitizers (PS) (protoporphyrin IX, pyropheophorbide‐a and photofrin) by means of three different methods: octanol–water distribution methods (shake‐flask), reversed‐phase high‐performance liquid chromatography (HPLC) and theoretical calculations based on density functional theory (DFT). We describe and compare the results of these various methods.
Systematic review for the prevention and management of falls and fear of falling in patients with Parkinson's disease
Authors: Liu Wen‐Yi , Tung Tao‐Hsin , Zhang Chencheng , Shi Leiyu 
Published: July 2022

AbstractObjectiveTo synthesize recent empirical evidence for the prevention and management of falls and fear of falling in patients with Parkinson's disease (PD).Data sourceDatabase from PubMed, Cochrane Library, and EMBASE.Study designSystematic review.Data collectionWe searched the PubMed, Cochrane Library, and EMBASE databases for studies published from inception to February 27, 2021. Inclusion criteria were nonreview articles on prevention and management measures related to falls and fall prevention in Parkinson's disease patients.Principal findingsWe selected 45 articles and conducted in‐depth research and discussion. According to the causes of falls in PD patients, they were divided into five directions, namely physical status, pre‐existing conditions, environment, medical care, and cognition. In the cognitive domain, we focused on the fear of falling. On the above basis, we constructed a fall prevention model, which is a tertiary prevention health care network, based on The Johns Hopkins Fall Risk Assessment Tool to provide ideas for the prevention and management of falling and fear of falling in PD patients in clinical practiceConclusionsFalls and fear of falls in patients with Parkinson's disease can be reduced by effective clinical prevention and management. Future studies are needed to explore the efficacy of treatment and prevention of falls and fear of falls.
A novel injectable fibromodulin‐releasing granular hydrogel for tendon healing and functional recovery
Authors: Xu Xue , Zhang Yulong , Ha Pin , Chen Yao , Li Chenshuang , Yen Emily , Bai Yuxing , Chen Renji , Wu Benjamin M. , Da Lio Andrew , Ting Kang , Soo Chia , Zheng Zhong 
Published: July 2022

AbstractA crucial component of the musculoskeletal system, the tendon is one of the most commonly injured tissues in the body. In severe cases, the ruptured tendon leads to permanent dysfunction. Although many efforts have been devoted to seeking a safe and efficient treatment for enhancing tendon healing, currently existing treatments have not yet achieved a major clinical improvement. Here, an injectable granular hyaluronic acid (gHA)‐hydrogel is engineered to deliver fibromodulin (FMOD)—a bioactive extracellular matrix (ECM) that enhances tenocyte mobility and optimizes the surrounding ECM assembly for tendon healing. The FMOD‐releasing granular HA (FMOD/gHA)‐hydrogel exhibits unique characteristics that are desired for both patients and health providers, such as permitting a microinvasive application and displaying a burst‐to‐sustained two‐phase release of FMOD, which leads to a prompt FMOD delivery followed by a constant dose‐maintaining period. Importantly, the generated FMOD‐releasing granular HA hydrogel significantly augmented tendon‐healing in a fully‐ruptured rat's Achilles tendon model histologically, mechanically, and functionally. Particularly, the breaking strength of the wounded tendon and the gait performance of treated rats returns to the same normal level as the healthy controls. In summary, a novel effective FMOD/gHA‐hydrogel is developed in response to the urgent demand for promoting tendon healing.
Intraductal papillary carcinoma of breast with invasion: A nomogram and survival from the analysis of the SEER database
Authors: Liu Chenguang , Liu Shiyang , Zhao Lu , Zheng Weihong , Wang Kun , Tian Yao , Gui Zhengwei , Zhang Lin 
Published: July 2022

AbstractBackgroundIntraductal papillary carcinoma (IPC) with invasion is a rare type of breast cancer. There have been few studies on its prognosis, and a nomogram that predicts the prognosis of the disease has not been described to date.MethodsPatients who were diagnosed with invasive IPC were screened from the Surveillance, Epidemiology, and End Results (SEER) database. The screened patients were randomly divided into a training cohort and a verification cohort at 7:3. A Cox proportional hazard regression model was performed to analyze the effects of different variables on the risk of death in invasive IPC. A nomogram was constructed to quantify the possibility of death. The concordance index (C‐index), calibration plots, receiver operating characteristic (ROC) curves, and decision curves analysis (DCA) were used to verify the proposed model.ResultsWe included a total of 803 patients diagnosed with invasive IPC, including 563 patients in the training cohort and 240 patients in the validation cohort. The median follow‐up times in the training cohort and validation cohort were 63 months (range, 2–155 months) and 61 months (range, 1–154 months), respectively. For all patients, the probability of death with invasive IPC was 1.4% within 5 years and 5.4% within 10 years. In multivariate analysis, sex, race, tumor size, lymph node status, type of treatment, and chemotherapy were related to the prognosis of invasive IPC. We constructed a nomogram to predict the possibility of death in patients with invasive IPC.ConclusionPatients with invasive IPC had a high survival rate. The proven nomogram was helpful to both patients and clinical decision makers.
Insight into the Structural Variation and Sodium Storage Behavior of Polyoxometalates Encapsulated within Single‐Walled Carbon Nanotubes
Authors: Sha Quan , Cao Dongwei , Wang Jiaxin , Hu Hanbin , Li Jiaxin , Chen Wei , He Lei , Newton Graham N. , Song Yu‐Fei 
Published: July 2022

AbstractThe host–guest interaction can remarkably alter the physiochemical properties of composite materials. It is crucial to clarify the mechanism by revealing the influence of the host on the electronic structure of the guest molecules. Herein, we study the structural variation of polyoxometalates (POMs) after being confined in single‐walled carbon nanotubes (SWNT). What we found is that in addition to the reported charge transfer from SWNT to POM, an intramolecular electron transfer within a single POM cluster can be observed in the POM@SWNT composites. Moreover, the charge density on the bridged oxygen of POMs is prominently enhanced. The structural change and electron reconfiguration of POMs upon encapsulation in SWNT significantly speed up electron and ion transport, leading to the improved electrochemical performance for sodium ions storage.
Metal–organic frameworks‐derived TiO2 for photocatalytic degradation of tetracycline hydrochloride
Authors: Wan Xin , Mo Guanglai , Luo Jianhong 
Published: July 2022

AbstractThis work will change the common understanding that C doping of MIL‐125(Ti)‐derived TiO2 is a key factor in improving its photocatalytic performance, and it can also help to understand the internal relationship between the structure and performance of photocatalytic materials deeply. It provides a simple synthesis method for the wider application of TiO2 in the field of photocatalysis. Compared with previous studies, this article uses the titanium‐based metal‐organic framework MIL‐125(Ti) to prepare the semiconductor photocatalyst M‐TiO2 by calcination in the air at a lower temperature and shorter time. After analyzing the M‐TiO2 prepared in the experiment, the results can be received that there is no obvious agglomeration and the morphology is almost unchanged, as the frame structure does not collapse at the same time. As a result, the advantages of the large specific surface area and porousness of metal–organic frameworks (MOF) as precursor derivatives are preserved. As for the changes in the micro‐morphology, pore structure, and specific surface area of M‐TiO2 compared with the precursor, they are investigated seriatim. The results show that, compared with commercial TiO2‐P25, the performance of M‐TiO2 photocatalytic degradation of tetracycline hydrochloride is 5.7 times that of the precursor metal‐organic framework MIL‐125(Ti) and 2.2 times that of P25, and has good cycle stability.
CPFD simulation on angle of repose with hopper geometries and particle properties
Authors: Sung Woo Chang , Kim Jun Young , Chung Seok Woo , Kim Dongjae , Park Ah‐Hyung Alissa , Lee Dong Hyun 
Published: July 2022

AbstractThe dynamic angle of repose was simulated by computational particle fluid dynamics (CPFD) when particles were continuously falling. CPFD simulation variables were fitted by comparing the angle of repose with the experimental data and Ps (particle normal stress) variance. Using a fitted simulation, the effect of hopper height (Hh) and hopper inlet diameter (Din) on the angle of repose was investigated. As Hh increased, the angle of repose decreased up to the height at which the particle velocity reached terminal velocity. Also, as Din/Dhopper decreased, the descending area of the particle was increased, following an increase in the angle of repose from 11° to 53°. The design of a hopper based on the obtained results shows that the particle discharge rate of the hopper can be increased by about 2.5 times.
The prostate tissue‐based telomere biomarker as a prognostic tool for metastasis and death from prostate cancer after prostatectomy
Authors: Heaphy Christopher M , Joshu Corinne E , Barber John R , Davis Christine , Lu Jiayun , Zarinshenas Reza , Giovannucci Edward , Mucci Lorelei A , Stampfer Meir J , Han Misop , De Marzo Angelo M , Lotan Tamara L , Platz Elizabeth A , Meeker Alan K 
Published: July 2022

AbstractCurrent biomarkers are inadequate prognostic predictors in localized prostate cancer making treatment decision‐making challenging. Previously, we observed that the combination of more variable telomere length among prostate cancer cells and shorter telomere length in prostate cancer‐associated stromal cells – the telomere biomarker – is strongly associated with progression to metastasis and prostate cancer death after prostatectomy independent of currently used pathologic indicators. Here, we optimized our method allowing for semi‐automated telomere length determination in single cells in fixed tissue, and tested the telomere biomarker in five cohort studies of men surgically treated for clinically localized disease (N = 2,255). We estimated the relative risk (RR) of progression to metastasis (N = 311) and prostate cancer death (N = 85) using models appropriate to each study's design adjusting for age, prostatectomy stage, and tumor grade, which then we meta‐analyzed using inverse variance weights. Compared with men who had less variable telomere length among prostate cancer cells and longer telomere length in prostate cancer‐associated stromal cells, men with the combination of more variable and shorter telomere length had 3.76 times the risk of prostate cancer death (95% confidence interval [CI] 1.37–10.3, p = 0.01) and had 2.23 times the risk of progression to metastasis (95% CI 0.99–5.02, p = 0.05). The telomere biomarker was associated with prostate cancer death in men with intermediate risk disease (grade groups 2/3: RR = 9.18, 95% CI 1.14–74.0, p = 0.037) and with PTEN protein intact tumors (RR = 6.74, 95% CI 1.46–37.6, p = 0.015). In summary, the telomere biomarker is robust and associated with poor outcome independent of current pathologic indicators in surgically treated men.
Efficient deep learning models for brain tumor detection with segmentation and data augmentation techniques
Authors: Shoaib Mohamed R. , Elshamy Mohamed R. , Taha Taha E. , El‐Fishawy Adel S. , Abd El‐Samie Fathi E. 
Published: July 2022

AbstractBrain tumor is an acute cancerous disease that results from abnormal and uncontrollable cell division. Brain tumors are classified via biopsy, which is not normally done before the brain ultimate surgery. Recent advances and improvements in deep learning (DL) models helped the health industry in getting accurate diseases diagnosis. This article concentrates on the classification of magnetic resonance (MR) images. The objective is to differentiate between glioma tumors, meningioma tumors, pituitary tumors, and normal cases. Four deep convolutional neural networks are considered and compared in this article. These networks are inceptionresnetv2, inceptionv3, transfer learning, and BRAIN‐TUMOR‐net. A transfer‐learning strategy is considered to enhance the performance of pre‐trained models and save the time of training. The used dataset is the brain tumor magnetic resonance imaging dataset. It contains four classes including 826 MR images for glioma tumor, 822 MR images for meningioma tumor, 827 MR images for pituitary tumor, and 835 MR images for normal cases. Due to the limited number of images, we use the augmentation strategy to enlarge the size of the dataset. 75% of the data are considered for training and the other 25% are considered for testing. Segmentation of the classified results is performed. Simulation results prove that the DL model from scratch obtains the highest performance with the augmented data. In addition, a new practical implementation is presented for the proposed models.
Low‐Temperature Light‐off MnOx−Na2WO4‐Based Catalysts: A Step Forward to OCM Process Industrialization**
Authors: Zhao Guofeng , Ni Jiayong , Si Jiaqi , Sun Weidong , Lu Yong 
Published: July 2022

AbstractOxidative coupling of methane (OCM) catalyzed by MnOx−Na2WO4‐based catalysts has great industrial potential to convert CH4 directly to C2–3 products, but the high light‐off temperature is a big challenge to OCM commercialization. The reaction mechanism studies disclosed that O2/CH4‐activation relevant “Mn2+↔Mn3+” redox cycle is tightly linked with the catalyst light‐off. One concept is thus put forward that the OCM light‐off temperature could be lowered once a “Mn2+↔Mn3+” redox cycle was established to be triggered at low temperature over MnOx−Na2WO4‐based catalysts. The relevant studies in recent years are reviewed, showing that the establishment of low‐temperature light‐off “Mn2+↔Mn3+” redox cycle over the MnOx−Na2WO4‐based catalysts indeed works effectively toward a low‐temperature light‐off OCM process. Moreover, three perspectives for the OCM industrialization are discussed based on this concept, including monolithic catalyst, fluidized‐bed method and chemical‐looping process.
Controlled preparation of CaO adsorbents by microsyringe titration technology for CO2 capture
Authors: Wu Jialin , Liu Xuan , Zhang Rumeng , Wu Zhaojun , Zhang Jianbin 
Published: July 2022

AbstractCaCO3 precursors were prepared by a simple titration method by dropping CaCl2 solution into a CO2 storage material (CO2SM) solution using a syringe pump; afterward, the precursors were roasted at 900°C to form CaO adsorbents for CO2 adsorption at 750°C for 2 h. Subsequently, the CO2SM dosage, CaCl2 concentration, drip speed, temperature, and stirring speed were systemically optimized by designing single‐factor experiments. Further, a three‐factor and three‐level response surface experiment was designed to investigate the interactions among the factors according to their effects on CO2 adsorption. After optimizing the preparation conditions, the CO2 adsorption capacity reached 739.6 mg/g. Fifteen adsorption cycles were conducted on the adsorbent under the optimal preparation conditions, and the adsorption performance was reduced by 52.8%. Finally, the formation mechanism of CaCO3 and the CO2 adsorption processes of CaO were discussed using a Fourier‐transform infrared spectrometer (FTIR), X‐ray diffractometer (XRD), scanning electron microscope (SEM), and high‐resolution transmission electron microscope (HR‐TEM). © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.