bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of resolvin D5 on T cell differentiation and osteoclastogenesis analyzed by lipid mediator profiling in the experimental arthritis
Authors: Yamada Hirotaka , Saegusa Jun , Sendo Sho , Ueda Yo , Okano Takaichi , Shinohara Masakazu , Morinobu Akio 
Published: August 2021

AbstractResolvins, are specialized pro-resolving mediators (SPMs) derived from n-3 polyunsaturated fatty acids. They contribute actively to the resolution of inflammation, but little is known concerning their role in chronic inflammation, such as in rheumatoid arthritis (RA). Here, we performed lipid mediator (LM) profiling in tissues from the paws of SKG arthritic mice using lipid chromatography (LC)/mass spectrometry (MS)/MS-based LM metabololipidomics. We found elevated levels of SPMs including resolvin D5 (RvD5) in these tissues. Moreover, RvD5 levels were significantly correlated with arthritis disease activity. From experiments to assess the role of RvD5 in the pathology of RA, we concluded that RvD5 suppressed Th17 cell differentiation and facilitated regulatory T cell differentiation, as well as inhibiting CD4+ T cell proliferation. Furthermore, RvD5 attenuated osteoclast differentiation and interfered with osteoclastogenesis. Targeting the resolution of inflammation could be promising as a novel treatment for RA.
Evolutionary design of molecules based on deep learning and a genetic algorithm
Authors: Kwon Youngchun , Kang Seokho , Choi Youn-Suk , Kim Inkoo 
Published: August 2021

AbstractEvolutionary design has gained significant attention as a useful tool to accelerate the design process by automatically modifying molecular structures to obtain molecules with the target properties. However, its methodology presents a practical challenge—devising a way in which to rapidly evolve molecules while maintaining their chemical validity. In this study, we address this limitation by developing an evolutionary design method. The method employs deep learning models to extract the inherent knowledge from a database of materials and is used to effectively guide the evolutionary design. In the proposed method, the Morgan fingerprint vectors of seed molecules are evolved using the techniques of mutation and crossover within the genetic algorithm. Then, a recurrent neural network is used to reconstruct the final fingerprints into actual molecular structures while maintaining their chemical validity. The use of deep neural network models to predict the properties of these molecules enabled more versatile and efficient molecular evaluations to be conducted by using the proposed method repeatedly. Four design tasks were performed to modify the light-absorbing wavelengths of organic molecules from the PubChem library.
Graphene/fluorescein dye-based sensor for detecting As(III) in drinking water
Authors: Sharma Madhu D. , Rayalu Sadhana S. , Kolev Spas D. , Krupadam Reddithota J. 
Published: August 2021

AbstractA complex of reduced graphene oxide (rGO) and fluorescein (FL) dye nanoparticles of size between 50 and 100 nm has been prepared and its sensing performance for detection of As(III) in drinking water has been reported. When As(III) binds to the rGO–FL nanoparticles the relative quenching of fluorescence was increased with increase in As(III) concentration thus provide two linear calibration ranges (0–4.0 mmol L−1 and 4.0–10 mmol L−1). The fluorescence quenching mechanism was investigated by using time-resolved fluorescence spectroscopy and molecular modeling. The detection limit of this sensor has been determined as equal to 0.96 µg L−1 which is about 10 times lower than the WHO stipulated standard for As(III) in drinking water (10 µg L−1). The analytical performance and potential application of the nanosensor was compared to commercial field kits used in arsenic monitoring. The sensor proposed in this study is fast, sensitive and accurate for detection of As(III) in drinking water and environmental samples.
Efficient homogeneous electrocatalytic hydrogen evolution using a Ni-containing polyoxometalate catalyst
Authors: Jana Debu , Kolli Hema Kumari , Sabnam Subhashree , Das Samar K. 
Published: August 2021

Compound K2[Ni(H2O)6]2[V10O28]·4H2O (1) exhibits homogeneous electrocatalytic HER in an aqueous solution with a turn over frequency of 2.1 s−1 and effectively low overpotential of 127 mV at pH 2.3.
Integrated energy system operation optimization with gas linepack and thermal inertia
Authors: Zhou Suyang , Pei Rui , Xie Jihua , Gu Wei , Chen Xiaogang 
Published: August 2021

AbstractAn optimal scheduling model that can integrate the power, heat and gas networks considering the gas linepack and the thermal inertia of heating system is proposed here. By coupling the characteristics of various energy flows, the flexibility and reliability of system operation can be improved without further investment on the storage equipment. First, the storage capacity of the gas pipeline, the process of thermal system transmission and the heat storage capability at the consumer side are analysed and modelled. The associated gas linepack model, heat system thermal inertia model and primary electricity‐gas‐heat model are subsequently combined and simplified through incremental linearization to establish an optimal scheduling model that can be applied for the Integrated Energy System (IES) based on the characteristics of thermal inertia and gas linepack. Case studies are conducted to assess the potential of optimizing the two energy flows using the proposed optimal scheduling method and the results indicate that the IES can significantly enhance the system capability to accommodate excessive renewable energy and maintain reliable operation during peak hours.
The location-based resect and discard strategy for diminutive colorectal polyps: a prospective clinical study
Authors: Taghiakbari Mahsa , Pohl Heiko , Djinbachian Roupen , Barkun Alan , Marques Paola , Bouin Mickael , Deslandres Eric , Panzini Benoit , Bouchard Simon , Weber Audrey , von Renteln Daniel 
Published: August 2021

Abstract
Background Clinical implementation of the resect-and-discard strategy has been difficult because optical diagnosis is highly operator dependent. This prospective study aimed to evaluate a resect-and-discard strategy that is not operator dependent.
Methods The study evaluated a resect-and-discard strategy that uses the anatomical polyp location to classify colonic polyps into non-neoplastic or low risk neoplastic. All rectosigmoid diminutive polyps were considered hyperplastic and all polyps located proximally to the sigmoid colon were considered neoplastic. Surveillance interval assignments based on these a priori assumptions were compared with those based on actual pathology results and on optical diagnosis. The primary outcome was ≥ 90 % agreement with pathology in surveillance interval assignment.
Results 1117 patients undergoing complete colonoscopy were included and 482 (43.1 %) had at least one diminutive polyp. Surveillance interval agreement between the location-based strategy and pathological findings using the 2020 US Multi-Society Task Force guideline was 97.0 % (95 % confidence interval [CI] 0.96–0.98), surpassing the ≥ 90 % benchmark. Optical diagnoses using the NICE and Sano classifications reached 89.1 % and 90.01 % agreement, respectively (P < 0.001), and were inferior to the location-based strategy. The location-based resect-and-discard strategy allowed a 69.7 % (95 %CI 0.67–0.72) reduction in pathology examinations compared with 55.3 % (95 %CI 0.52–0.58; NICE and Sano) and 41.9 % (95 %CI 0.39–0.45; WASP) with optical diagnosis.
Conclusion The location-based resect-and-discard strategy achieved very high surveillance interval agreement with pathology-based surveillance interval assignment, surpassing the ≥ 90 % benchmark and outperforming optical diagnosis in surveillance interval agreement and the number of pathology examinations avoided.
Detection of soluble biomarkers of pancreatic cancer in endoscopic ultrasound-guided fine-needle aspiration samples
Authors: Souche Régis , Tosato Guillaume , Colinge Jacques , Turtoi Andrei , Rivière Benjamin , Valats Jean-Christophe , Debourdeau Antoine , Flori Nicolas , Pourquier Didier , Fabre Jean-Michel , Assenat Eric 
Published: August 2021

Background Biomarkers are urgently needed for pancreatic ductal adenocarcinoma (PDAC). Endoscopic ultrasound-guided fine-needle aspiration (EUS-FNA) is the cornerstone for diagnosing PDAC. We developed a method for discovery of PDAC biomarkers using the discarded EUS-FNA liquid.
Methods This retrospective study included 58 patients with suspected pancreatic lesions who underwent EUS-FNA. Protein extracts from EUS-FNA liquid were analyzed by mass spectrometry. Proteomic and clinical data were modeled by supervised statistical learning to identify protein markers and clinical variables that distinguish PDAC.
Results Statistical modeling revealed a protein signature for PDAC screening that achieved high sensitivity and specificity (0.92, 95 % confidence interval [CI] 0.79–0.98, and 0.85, 95 %CI 0.67–0.93, respectively). We also developed a protein signature score (PSS) to guide PDAC diagnosis. In combination with patient age, the PSS achieved 100 % certainty in correctly identifying PDAC patients > 54 years. In addition, 3 /4 inconclusive EUS-FNA biopsies were correctly identified using PSS.
Conclusions EUS-FNA-derived fluid is a rich source of PDAC proteins with biomarker potential. The PSS requires further validation and verification of the feasibility of measuring these proteins in patient sera.
A Survey of Academic Neonatologists on Neonatal Electrical Cardioversion and Defibrillation
Authors: Panchangam Chaitanya , Rodriguez Catherine , Dyke II Peter C. , Ohler Adrienne , Vachharajani Akshaya 
Published: August 2021

Objective This study aimed to assess neonatologists' experience and comfort with neonatal electrical cardioversion or defibrillation (EC-D).
Study Design Electronic surveys were distributed to academic neonatologists affiliated with 12 Midwest academic hospitals. Neonatologists were asked about their residency training; years since completing residency; current certification/competency training in the Basic Life Support (BLS), Pediatric Advanced Life Support (PALS), Advanced Cardiovascular Life Support (ACLS), and Neonatal Resuscitation Program (NRP); experiences with EC-D; availability of a pediatric cardiologist; and their comfort levels with such procedures. Standard statistical tests evaluated comfort with EC-D.
Results Seventy-two out of 180 neonatologists responded to the survey (response rate = 40%). Of them, 98.6% (71), 54.2% (39), and 37.5% (27) maintained current NRP, BLS, and PALS trainings, respectively. Also, 73.6% (n = 53) reported having performed neonatal EC-D. Of those, 50.9% (n = 27) indicated feeling slightly to very uncomfortable performing EC-D. We report a lack of BLS certification being associated with a lack of comfort (odds ratio [OR]: 0.269, 95% confidence interval [CI]: [0.071, 0.936]), and a positive association between a pediatric cardiologist being present and being uncomfortable (OR: 3.722, 95% CI: [1.069, 14.059]). Those reporting greater volume and more recent experience with EC-D report more comfort.
Conclusion Of neonatologists who performed EC-D, half of them reported being uncomfortable. BLS certification and experience are positively associated with comfort in performing EC-D. Simulations to increase training in EC-D should be offered regularly to academic neonatologists.
Key Points
Imide-Functionalized Helical PAHs: A Step towards New Chiral Functional Materials
Authors: Ravat Prince , Saal Fridolin 
Published: August 2021

AbstractAttachment of cyclic imide groups to polycyclic aromatic hydrocarbons (PAHs) leads to fascinating electronic and luminescence properties, with rylene diimides being a representative example. The close to unity fluorescence quantum yields and electron-acceptor properties render them suitable for application in organic electronics and photovoltaics. Recent reports show that, in line with planar PAHs, the imide functionalization has also endowed helical three-dimensional PAHs with similar beneficial photophysical properties. In this article, we have summarized the state-of-the-art research developments in the field of helicene–imide hybrid functional molecules, with a particular focus on synthesis, (chir)optical and redox properties, and applications in electronics. Additionally, we have highlighted our recent work, introducing a novel family of functional chiral molecules, namely, [n]helicene diimides, as three-dimensional relatives of rylene diimides.
Experimental Electrochemical Potentials of Nickel Complexes
Authors: Diao Tianning , Lin Qiao , Dawson Gregory 
Published: August 2021

AbstractNickel-catalyzed cross-coupling and photoredox catalytic reactions has found widespread utilities in organic synthesis. Redox processes are key intermediate steps in many catalytic cycles. As a result, it is pertinent to measure and document the redox potentials of various nickel species as precatalysts, catalysts, and intermediates. The redox potentials of a transition-metal complex are governed by its oxidation state, ligand, and the solvent environment. This article tabulates experimentally measured redox potentials of nickel complexes supported on common ligands under various conditions. This review article serves as a versatile tool to help synthetic organic and organometallic chemists evaluate the feasibility and kinetics of redox events occurring at the nickel center, when designing catalytic reactions and preparing nickel complexes.1	Introduction1.1	Scope1.2	Measurement of Formal Redox Potentials1.3	Redox Potentials in Nonaqueous Solution2	Redox Potentials of Nickel Complexes2.1	Redox Potentials of (Phosphine)Ni Complexes2.2	Redox Potentials of (Nitrogen)Ni Complexes2.3	Redox Potentials of (NHC)Ni Complexes
Atropisomeric Properties of 9-Methyl-1,4-benzodiazepin-2-ones
Authors: Takahashi Hideyo , Tanaka Ryoko , Makino Kosho , Tabata Hidetsugu , Oshitari Tetsuta , Natsugari Hideaki 
Published: August 2021

AbstractThe atropisomeric and conformational properties of 1,4-benzodiazepin-2-ones were investigated by freezing the conformation with a methyl group at the C9 of 1,4-benzodiazepine. It was revealed that 1,4-benzodiazepin-2-ones exist only as a pair of enantiomers [(a1
R, a2
S) and (a1
S, a2
R)], which was confirmed by X-ray analysis. The absolute configuration of each atropisomer was deduced by comparing the [α]D and CD data with those of (–)-N-methoxycarbonylmethylated 9-methyl-5-phenyl-1,4-benzodiaepin-2-one derivative. It was elucidated that the corresponding N-methylated derivative showed similar CD spectra, although the rotational direction of [α]D was opposite to that of others.
Ketogenic Diet for KARS-Related Mitochondrial Dysfunction and Progressive Leukodystrophy
Authors: Murofushi Yuka , Hayakawa Itaru , Abe Yuichi , Ohto Tatsuyuki , Murayama Kei , Suzuki Hisato , Takenouchi Toshiki , Kosaki Kenjiro , Kubota Masaya 
Published: August 2021

AbstractKARS encodes lysyl-tRNA synthetase, which is essential for protein translation. KARS mutations sometimes cause impairment of cytoplasmic and mitochondrial protein synthesis, and sometimes lead to progressive leukodystrophies with mitochondrial signature and psychomotor regression, and follow a rapid regressive course to premature death. There has been no disease-modifying therapy beyond supportive treatment. We present a 5-year-old male patient with an asymmetrical leukodystrophy who showed overt evidence of mitochondrial dysfunction, including elevation of lactate on brain MR spectroscopy and low oxygen consumption rate in fibroblasts. We diagnosed this patient's condition as KARS-related leukodystrophy with cerebral calcification, congenital deafness, and evidence of mitochondrial dysfunction. We employed a ketogenic diet as well as multiple vitamin supplementation with the intention to alleviate mitochondrial dysfunction. The patient showed alleviation of his psychomotor regression and even partial restoration of his abilities within 4 months. This is an early report of a potential disease-modifying therapy for KARS-related progressive leukodystrophy without appreciable adverse effects.
Role of White blood Cell Count and Mean Platelet Volume ratio in Acute Coronary Syndrome patients: A short study
Authors: Devi S. Rama 
Published: August 2021

Abstract
The white blood cell count to mean platelet volume ratio is an indicator of inflammation in patients with atherosclerotic disease. Acute coronary syndrome is a disease characterized in most of the cases by rupture of atherosclerotic plaque and subsequent complete or incomplete thrombosis of the coronary arteries.
Myocardial Infarction with Nonobstructive Coronary Artery (MINOCA)
Authors: Archana R. 
Published: August 2021

Abstract
Myocardial infarction with nonobstructive coronary arteries (MINOCA) is diagnosed in almost equal to 5 to 6% of patients who present with acute myocardial infarction (AMI). Causes of MINOCA are varied. Appropriate diagnosis and evaluation is important to uncover the correct cause and prescribe specific therapies to treat the underlying cause.
Women with evidence of MINOCA are being increasingly recognized. The mechanisms underlying MINOCA, such as coronary microvascular spasm, represent a diagnostic and therapeutic challenge to medical fraternity, as there is neither a uniform nor comprehensive diagnostic strategy for accurate risk stratification, in the present scenario, for these patients.
Here, we are reporting a case of MINOCA, which is rare and incompletely evaluated.
Association between Low Urban Neighborhood Greenness and Hypertensive Disorders of Pregnancy
Authors: Tiako Max Jordan Nguemeni , McCarthy Clare , Meisel Zachary F. , Elovitz Michal A. , Burris Heather H. , South Eugenia 
Published: August 2021

Objective Urban neighborhood greenness is associated with greater cardiovascular health in the general population, and with better pregnancy and neonatal outcomes. Hypertension in pregnancy is a leading cause of maternal mortality and long-term cardiovascular morbidity and mortality in women. We sought to examine the association between greenness and hypertensive disorders of pregnancy.
Study Design This study is a secondary analysis of a prospective cohort study of 1,943 women who received prenatal care from December 2013 to December 2016 at a single, urban, and tertiary academic medical center in Philadelphia, PA. Greenness measure was quantified via residential tree canopy cover within circumferential buffers of 100- and 500-meter radii around participants' homes. Associations between greenness and hypertensive disorders of pregnancy (defined as gestational hypertension or preeclampsia) were estimated by using multilevel logistic regression accounting for maternal sociodemographic information (race-ethnicity, insurance status, and age) medical history (diabetes, body mass index, smoking history, and parity), neighborhood deprivation index, and including 1,225 Philadelphia residents for whom key exposure and outcome data were available.
Results At baseline, the participants' mean (SD) age was 27.5 (5.9) years, (range: 14–44 years). The majority of participants were non-Hispanic Black (857, 70.2%). Participants with less residential tree canopy cover were significantly more likely to have hypertensive disorders of pregnancy. The multivariable-adjusted odds ratio of hypertensive disorders of pregnancy among participants with less than 10% compared with those with greater than 30% tree canopy cover was 2.14 (95% confidence interval [CI]: 1.11–4.15) within 100-meter buffer.
Conclusion In our cohort, greenness was associated with lower hypertensive disorders of pregnancy odds. Our findings add to evidence that greenness may confer health benefits and warrant further investigations in identifying whether there is a causal pathway through which greenness may be protective against hypertensive disorders of pregnancy.
Key Points
Hemostatic Biomarkers and Cancer Prognosis: Where Do We Stand?
Authors: Falanga Anna , Marchetti Marina , Russo Laura 
Published: August 2021

AbstractCancer patients are characterized by hypercoagulable state and an increased rate of thrombotic events, the most common being venous thromboembolism. Several hemostatic pathways that are significantly implicated in mechanisms of thromboembolic disease are also involved in growth, invasion, and metastatic spread of malignant cells as well in tumor-induced neo-angiogenesis. This close connection between cancer and the hemostatic system has prompted numerous studies on the role of alterations in the level plasma biomarkers of the different compartments of hemostasis in predicting cancer prognosis. In this review, we collect the results of several exemplificative studies that have evaluated clotting activation biomarkers in relation to different cancer outcomes with a final emphasis on current research and forthcoming directions in this field.
Early Vital Sign Differences in Very Low Birth Weight Infants with Severe Intraventricular Hemorrhage
Authors: Zanelli Santina A. , Abubakar Maryam , Andris Robert , Patwardhan Kavita , Fairchild Karen D. , Vesoulis Zachary A. 
Published: August 2021

Objective Severe intraventricular hemorrhage (sIVH, grades 3 and 4) is a serious complication for very low birth weight (VLBW) infants and is often clinically silent requiring screening cranial ultrasound (cUS) for detection. Abnormal vital sign (VS) patterns might serve as biomarkers to identify risk or occurrence of sIVH.
Study Design This retrospective study was conducted in VLBW infants admitted to two level-IV neonatal intensive care units (NICUs) between January 2009 and December 2018. Inclusion criteria were: birth weight <1.5 kg and gestational age (GA) <32 weeks, at least 12 hours of systemic oxygen saturation from pulse oximetry (SpO2) data over the first 24 hours and cUS imaging. Infants were categorized as early sIVH (sIVH identified in the first 48 hours), late sIVH (sIVH identified after 48 hours and normal imaging in the first 48 hours), and no IVH. Infants with grades 1 and 2 or unknown timing IVH were excluded. Mean heart rate (HR), SpO2, mean arterial blood pressure (MABP), number of episodes of bradycardia (HR < 100 bpm), and desaturation (SpO2 < 80%) were compared.
Results A total of 639 infants (mean: 27 weeks' gestation) were included (567 no IVH, 34 early sIVH, and 37 late sIVH). In the first 48 hours, those with sIVH had significantly higher HR compared with those with no IVH. Infants with sIVH also had lower mean SpO2 and MABP and more desaturations <80%. No significant differences in VS patterns were identified in early versus late sIVH. Logistic regression identified higher HR and greater number of desaturations <80% as independently associated with sIVH.
Conclusion VLBW infants who develop sIVH demonstrate VS differences with significantly lower SpO2 and higher mean HR over the first 48 hours after birth compared with VLBW infants with no IVH. Abnormalities in early VS patterns may be a useful biomarker for sIVH. Whether VS abnormalities predict or simply reflect sIVH remains to be determined.
Key Points