bluuebunny/crossref_metadata_2025_split huggingface dataset:
An efficient polar cubic equation of state for predictive modeling of phase behavior and critical phenomena of mixtures
Authors: Abutaqiya Mohammed I. L. , Marshall Bennett D. 
Published: April 2024

AbstractA polar cubic equation of state (EOS) is developed by incorporating the dipolar theory of Jog and Chapman into the Soave‐Redlich‐Kwong (SRK) EOS. We propose simplifying assumptions in the dipolar term of Jog and Chapman to reduce the double and triple sums in the theory to single sums. The simplified version of the dipolar theory can significantly improve computational speed and can be used with either Cubic EOS or SAFT‐based EOS. The proposed model, which we call Simplified Polar SRK (SP‐SRK), is parametrized in a similar fashion to classical cubic EOS to exactly reproduce , and will self‐consistently reduce to the base SRK EOS in the absence of polar interactions. Binary VLE data with a non‐polar reference hydrocarbon is used to extract the polarity of the respective functional group. The model shows superior performance in capturing the phase behavior of polar mixtures compared to the base SRK.
Genomics of severe and treatment‐resistant obsessive–compulsive disorder treated with deep brain stimulation: A preliminary investigation
Authors: Chen Long Long , Naesström Matilda , Halvorsen Matthew , Fytagoridis Anders , Crowley Stephanie B. , Mataix‐Cols David , Rück Christian , Crowley James J. , Pascal Diana 
Published: April 2024

AbstractIndividuals with severe and treatment‐resistant obsessive‐compulsive disorder (trOCD) represent a small but severely disabled group of patients. Since trOCD cases eligible for deep brain stimulation (DBS) probably comprise the most severe end of the OCD spectrum, we hypothesize that they may be more likely to have a strong genetic contribution to their disorder. Therefore, while the worldwide population of DBS‐treated cases may be small (~300), screening these individuals with modern genomic methods may accelerate gene discovery in OCD. As such, we have begun to collect DNA from trOCD cases who qualify for DBS, and here we report results from whole exome sequencing and microarray genotyping of our first five cases. All participants had previously received DBS in the bed nucleus of stria terminalis (BNST), with two patients responding to the surgery and one showing a partial response. Our analyses focused on gene‐disruptive rare variants (GDRVs; rare, predicted‐deleterious single‐nucleotide variants or copy number variants overlapping protein‐coding genes). Three of the five cases carried a GDRV, including a missense variant in the ion transporter domain of KCNB1, a deletion at 15q11.2, and a duplication at 15q26.1. The KCNB1 variant (hg19 chr20‐47991077‐C‐T, NM_004975.3:c.1020G>A, p.Met340Ile) causes substitution of methionine for isoleucine in the trans‐membrane region of neuronal potassium voltage‐gated ion channel KV2.1. This KCNB1 substitution (Met340Ile) is located in a highly constrained region of the protein where other rare missense variants have previously been associated with neurodevelopmental disorders. The patient carrying the Met340Ile variant responded to DBS, which suggests that genetic factors could potentially be predictors of treatment response in DBS for OCD. In sum, we have established a protocol for recruiting and genomically characterizing trOCD cases. Preliminary results suggest that this will be an informative strategy for finding risk genes in OCD.
Usefulness of the Yokohama Advanced Cardiopulmonary Help Team in patients with acute respiratory distress syndrome
Authors: Utada Shusuke , Taniguchi Hayato , Honzawa Hiroshi , Takeda Tomoaki , Abe Takeru , Takeuchi Ichiro 
Published: April 2024

AbstractAimTo evaluate whether establishing an extracorporeal membrane oxygenation (ECMO) specialist team, termed the Yokohama Advanced Cardiopulmonary Help Team (YACHT), affected the outcomes and centralization of patients requiring ECMO in Yokohama‐Yokosuka regions.MethodsThis retrospective observational study included patients aged ≥18 years and treated with venovenous‐ECMO for severe acute respiratory distress syndrome (ARDS) from 2014 to 2023. The primary outcome was intensive care unit (ICU) mortality. The secondary outcomes included ICU‐, mechanical ventilator‐, and ECMO‐free days and complications during the first 28 days.ResultsThis study included 46 (12 without‐ and 34 with‐YACHT) patients. Among with‐YACHT patients, 24 were transferred to our hospital from other hospitals, 14 were assessed by dispatched ECMO physicians, and 9 were transferred after ECMO introduction. No without‐YACHT patients were transferred from other hospitals. With‐YACHT patients experienced coronavirus disease 2019‐associated respiratory failure more frequently (0 vs. 27, p < 0.001) and had higher Acute Physiology and Chronic Health Evaluation II scores (19 vs. 24, p = 0.037) and lower Respiratory Extracorporeal Membrane Oxygenation Survival Prediction scores (4 vs. 2, p = 0.021). ICU mortality was not significantly different between the groups (2 vs. 4, p = 0.67). ICU‐ (14 vs. 9, p = 0.10), ventilator‐ (11 vs. 5, p = 0.01), and ECMO‐free days (20 vs. 14, p = 0.038) were higher before YACHT establishment. The incidences of complications were not significantly different between the groups.ConclusionsMortality was not significantly different pre‐ and post‐YACHT establishment; however, it helped promote regionalization and centralization in Yokohama‐Yokosuka areas. We will collect more cases to demonstrate YACHT's usefulness.
Adhesion Peptide‐Functionalized Biobased Microgels for Controlled Delivery of Pesticides
Authors: Yayci Abdulkadir , Sassmann Tim , Boes Alexander , Jakob Felix , Töpel Alexander , Loreth Anne , Rauch Carolin , Pich Andrij , Schwaneberg Ulrich 
Published: April 2024

AbstractWidespread use of plant protection agents in agriculture is a major cause of pollution. Apart from active ingredients, the environmental impact of auxiliary synthetic polymers should be minimized if they are highly persistent. An alternative to synthetic polymers is the use of natural polysaccharides, which are abundant and biodegradable. In this study, we explore pectin microgels functionalized with anchor peptides (P‐MAPs) to be used as an alternative biobased pesticide delivery system. Using copper as the active ingredient, P‐MAPs effectively prevented infection of grapevine plants with downy mildew under semi‐field conditions on par with commercial copper pesticides. By using anchor peptides, the microgels tightly bind to the leaf surface, exhibiting excellent rain fastness and prolonged fungicidal activity. Finally, P‐MAPs are shown to be easily degradable by enzymes found in nature, demonstrating their negligible long‐term impact on the environment.
Cathodic Deposition‐Assisted Synthesis of Thin Glass MOF Films for High‐Performance Gas Separations
Authors: Xie Sijie , Tan Xiaoyu , Xue Zhenhong , Geysens Pieter , Pan Hui , Guo Wei , Zhou Zhenyu , Zhang Xuan , Vankelecom Ivo F. J. , Fransaer Jan 
Published: April 2024

AbstractGlass metal–organic framework (MOF) films can be fabricated from their crystalline counterparts through a melt‐quenching process and are prospective candidates for gas separation because of the elimination of the grain boundaries in crystalline MOF films. However, current techniques are limited to producing glass MOF films with a thickness of tens of micrometers, which leads to ultralow gas permeances. Here, we report a novel cathodic deposition‐assisted synthesis of glass ZIF‐62 films with a thickness as low as ~1 μm. Electrochemical analyses and deposition experiments suggest that the cathodic deposition can lead to pure crystalline ZIF‐62 films with a controllable thickness of ~2 μm to ~15 μm. Accordingly, glass ZIF‐62 films with a thickness of ~1 μm to ~10 μm can be obtained after a thermal treatment. The fabricated defect‐free glass ZIF‐62 film measuring 2 μm in thickness shows a remarkable CO2/N2 and CO2/CH4 selectivity of 31.4 and 33.4, respectively, with a CO2 permeance which is over 30 times higher than the best‐performing glass ZIF‐62 films in literature.
Polyfluorinated Organic Diammonium Induced Lead Iodide Arrangement for Efficient Two‐Step‐Processed Perovskite Solar Cells
Authors: Liu Yang , Liu Qiuju , Lu Yusong , Fu Jianfei , Wu Jifeng , Tian Qingyong , Fan Bin , Zhang Yan , Bai Hua , Wang Hai‐Qiao 
Published: April 2024

AbstractThe inefficient conversion of lead iodide to perovskite has become one of the major challenges in further improving the performance of perovskite solar cells fabricated by the two‐step method. Herein, the discontinuous lead iodide layer realized by introduction of a polyfluorinated organic diammonium salt, octafluoro‐([1,1′‐biphenyl]‐4,4′‐diyl)‐dimethanaminium (OFPP) iodide which does not form low‐dimensional perovskites, can enable the satisfactory conversion of lead iodide into perovskite, leading to meliorated crystallinity and enlarged grains in the OFPP modulated perovskite (OFPP‐PVK) film. Combined with the effective defect passivation, the OFPP‐PVK films show enhanced charge mobility and suppressed charge recombination. Accordingly, the OFPP‐based perovskite solar cells exhibit a champion efficiency of 24.76 % with better device stability. Moreover, a superior efficiency of 21.04 % was achieved in a large‐area perovskite module (100 cm2). Our work provides a unique insight into the function of organic diammonium additive in boosting photovoltaic performance.
Formation of Supernarrow Borophene Nanoribbons
Authors: Wang Haochen , Ding Pengcheng , Xia Guang‐Jie , Zhao Xiangyun , E Wenlong , Yu Miao , Ma Zhibo , Wang Yang‐Gang , Wang Lai‐Sheng , Li Jun , Yang Xueming 
Published: April 2024

AbstractBorophenes have sparked considerable interest owing to their fascinating physical characteristics and diverse polymorphism. However, borophene nanoribbons (BNRs) with widths less than 2 nm have not been achieved. Herein, we report the experimental realization of supernarrow BNRs. Combining scanning tunneling microscopy imaging with density functional theory modeling and ab initio molecular dynamics simulations, we demonstrate that, under the applied growth conditions, boron atoms can penetrate the outermost layer of Au(111) and form BNRs composed of a pair of zigzag (2,2) boron rows. The BNRs have a width self‐contained to ∼1 nm and dipoles at the edges to keep them separated. They are embedded in the outermost Au layer and shielded on top by the evacuated Au atoms, free of the need for post‐passivation. Scanning tunneling spectroscopy reveals distinct edge states, primarily attributed to the localized spin at the BNRs’ zigzag edges. This work adds a new member to the boron material family and introduces a new physical feature to borophenes.
Enrooted‐Type Metal‐Support Interaction Boosting Oxygen Evolution Reaction in Acidic Media
Authors: Wang Wenjuan , Li Cheng , Zhou Chuan , Xiao Xin , Li Fayan , Huang Ning‐Yu , Li Lei , Gu Meng , Xu Qiang 
Published: April 2024

AbstractSupported metal catalysts with appropriate metal‐support interactions (MSIs) hold a great promise for heterogeneous catalysis. However, ensuring tight immobilization of metal clusters/nanoparticles on the support while maximizing the exposure of surface active sites remains a huge challenge. Herein, we report an Ir/WO3 catalyst with a new enrooted‐type MSI in which Ir clusters are, unprecedentedly, atomically enrooted into the WO3 lattice. The enrooted Ir atoms decrease the electron density of the constructed interface compared to the adhered (root‐free) type, thereby achieving appropriate adsorption toward oxygen intermediates, ultimately leading to high activity and stability for oxygen evolution in acidic media. Importantly, this work provides a new enrooted‐type supported metal catalyst, which endows suitable MSI and maximizes the exposure of surface active sites in contrast to the conventional adhered, embedded, and encapsulated types.
Biological autoluminescence enables effective monitoring of yeast cell electroporation
Authors: Bereta Martin , Teplan Michal , Zakar Tomáš , Vuviet Hoang , Cifra Michal , Chafai Djamel Eddine 
Published: April 2024

AbstractThe application of pulsed electric fields (PEFs) is becoming a promising tool for application in biotechnology, and the food industry. However, real‐time monitoring of the efficiency of PEF treatment conditions is challenging, especially at the industrial scale and in continuous production conditions. To overcome this challenge, we have developed a straightforward setup capable of real‐time detection of yeast biological autoluminescence (BAL) during pulsing. Saccharomyces cerevisiae culture was exposed to 8 pulses of 100 µs width with electric field strength magnitude 2–7 kV cm−1. To assess the sensitivity of our method in detecting yeast electroporation, we conducted a comparison with established methods including impedance measurements, propidium iodide uptake, cell growth assay, and fluorescence microscopy. Our results demonstrate that yeast electroporation can be instantaneously monitored during pulsing, making it highly suitable for industrial applications. Furthermore, the simplicity of our setup facilitates its integration into continuous liquid flow systems. Additionally, we have established quantitative indicators based on a thorough statistical analysis of the data that can be implemented through a dedicated machine interface, providing efficiency indicators for analysis.
Phase separation methods for protein purification: A meta‐analysis of purification performance and cost‐effectiveness
Authors: Decker John S. , Yano Utsuki , Melgar Romel Menacho , Lynch Michael D. 
Published: April 2024

AbstractProtein purifications based on phase separations (e.g., precipitation and liquid‐liquid extraction) have seen little adoption in commercial protein drug production. To identify barriers, we analyzed the purification performance and economics of 290 phase separation purifications from 168 publications. First, we found that studies using Design of Experiments for optimization achieved significantly greater mean yield and host cell protein log10 removal values than those optimizing one factor at a time (11.5% and 53% increases, respectively). Second, by modeling each reported purification at scales from 10 to 10,000 kg product/year and comparing its cost‐effectiveness versus chromatography, we found that cost‐effectiveness depends strongly on scale: the fraction of phase separations predicted to be cost‐effective at the 10, 100, and 1000 kg/year scales was 8%, 15%, and 43%, respectively. Total cost per unit product depends inversely on input purity, with phase separation being cheaper than chromatography at the 100 kg/year scale in 100% of cases where input purity was ≤ 1%, compared to about 25% of cases in the dataset as a whole. Finally, we identified a simple factor that strongly predicts phase separation process costs: the mass ratio of reagents versus purified product (the “direct materials usage rate”), which explains up to 58% of variation in cost per unit of purified product among all 290 reports, and up to 98% of variation within particular types of phase separation.
Survival and safety analysis of COVID‐19 vaccine in Chinese patients with non‐small cell lung cancer
Authors: Xu Wei , Zhao Jing , Luan Fang , Zhang Zhizhao , Liu Lei , Zhao Hui , Feng Bin , Fu Guobin 
Published: April 2024

AbstractBackgroundSevere acute respiratory syndrome coronavirus 2 disease (COVID‐19) has caused a worldwide challenging and threatening pandemic. We aimed to assess the safety and efficacy of the COVID‐19 vaccines in Non‐Small Cell Lung Cancer (NSCLC) patients.MethodsPatient self‐reported adverse events related to vaccines were recorded by follow‐up through a uniform questionnaire. Survival analysis was performed by Kaplan–Meier method. A multivariate analysis was performed by the Cox proportional hazard regression model to determine the effect of each variable on the survival of lung cancer patients.ResultsA total of 860 patients with NSCLC on treatment were enrolled. Mean age was 57 years in patients with early stage group and 62 years in advanced stage group. The vaccination rate was 71.11% for early‐stage patients and 19.48% for advanced‐stage patients; most of them (86.5%) received the COVID‐19 inactivated virus (Vero cell) vaccine (Coronavac; Sinovac). The most common systemic adverse reaction was weakness. The main reason for vaccine refusal in those unvaccinated patients was concern about the safety of vaccination in the presence of a tumor and undergoing treatment (56.9% and 53.4%). The 1‐year disease‐free survival (DFS) rate was 100% for vaccinated and 97.4% for unvaccinated early‐stage patients. Then we compared the progression‐free survival (PFS) of vaccinated (median PFS 9.0 months) and unvaccinated (median PFS 7.0 months) advanced stage patients (p = 0.815). Advanced NSCLC patients continued to be divided into groups receiving radio‐chemotherapy, immunotherapy, and targeted therapy, with no statistical difference in PFS between the groups (p > 0.05). The median overall survival (OS) of vaccinated patients was 20.5 months, and that of unvaccinated patients was 19.0 months (p = 0.478) in advanced NSCLC patients.ConclusionsCOVID‐19 vaccination is safe for Chinese NSCLC patients actively receiving different antitumor treatments without increasing the incidence of adverse reactions, and vaccination does not affect cancer patient survival.
Disparities in incidence and survival for patients with Ewing sarcoma in Florida
Authors: Dhir Aditi , Rahul Rachna , Liu Qinran , Pham Dan , Kronenfeld Rachel , Koru‐Sengul Tulay , Pinheiro Paulo S. 
Published: April 2024

AbstractBackgroundEwing sarcoma (ES) is a malignant bone tumor most commonly affecting non‐Hispanic White (NHW) adolescent males, though recognition among Hispanic individuals is rising. Prior population‐based studies in the United States (US), utilizing Surveillance, Epidemiology, and End Results (SEER) have shown higher all‐cause mortality among White Hispanics, Blacks, and those of low socioeconomic status (SES). Florida is not part of SEER but is home to unique Hispanic populations including Cubans, Puerto Ricans, South Americans that contrasts with the Mexican Hispanic majority in other US states. This study aimed to assess racial/ethnic disparities on incidence and survival outcomes among this diverse Florida patient population.MethodologyOur study examined all patients diagnosed with osseous ES (2005–2018) in Florida (n = 411) based on the state's population‐based cancer registry dataset. Florida Age‐adjusted Incidence Rates (AAIRs) were computed by sex and race‐ethnicity and compared to the equivalent populations in SEER. Cause‐specific survival disparities among Florida patients were examined using Kaplan–Meier analysis. Univariable and multivariable analyses using Cox regression were performed for race/ethnicity, with adjustment for age, sex, year of diagnosis, site of disease, staging, SES, and insurance type.ResultsThere was a significantly higher incidence of osseous ES in Florida Hispanic males (AAIR 2.6/1,000,000); (95% CI: 2.0–3.2 per 1,000,000; n = 84) compared to the SEER Hispanic males (AAIR 1.2/1,000,000;1.1–1.4 per 1,000,000; n = 382). Older age, distant metastasis, lack of chemotherapy or surgical resection were statistically significant determinants of poor survival while SES, insurance status and race‐ethnicity were not. However, among nonmetastatic ES, Florida Hispanics had an increased risk of death compared to Florida NHW (adjusted Hazard Ratio 2.32; 95%CI: 1.20–4.46; p = 0.012).ConclusionsFlorida Hispanic males have a higher‐than‐expected incidence of osseous ES compared to the US. Hispanics of both sexes show remarkably worse survival for nonmetastatic disease compared to NHW. This disparity is likely multifactorial and requires further in‐depth studies.
Seasonal and Circadian Variation of Non‐Volatile Metabolites in Lippia alba Leaves
Authors: Rocha Girlane Oliveira , Scabini Caroline , da Silva Oliveira Jayne Ferreira , Neres Oliveira Déborah , Carvalho Mota Luise , Novais Almeida Neves Brenda , Menezes dos Santos Amanda , Mendes de Souza Flávio , Santos de Araújo Urias , Moreira Bruno Oliveira , Prates de Almeida Maiara , Amaral Juliano Geraldo , David Jorge Maurício , Ferraz Gomes Angélica 
Published: April 2024

AbstractThe present study describes the seasonal and circadian variations of the major compounds from Lippia alba leaves. SPSS was used to identify, quantify, and associate the variations in the secondary metabolites of this species through HPLC/DAD analysis of the leaves hydroethanolic extracts of six selected L. alba specimens. For the circadian study, the samples were collected at four different daily hours in each year‘s season. For the seasonal study, the samples were collected monthly from the same individuals for two consecutive years (2018 and 2019). These samples were analyzed and quantified using a validated HPLC method for flavonoids, iridoids, and phenyl ethanoid glycoside. Mussaenoside, acteoside, and tricin‐7‐O‐diglucuronide showed a moderate positive correlation between their biosynthesis and the precipitation index, while epi‐loganin had a moderate negative correlation. Acteoside showed a moderate positive correlation between the minimum registered temperature and its production. Compared with previous studies, a drastic reduction (about 95 %) in the production of tricin‐7‐O‐diglucuronide compared with previous study and this difference could be attributed to the plant‘s aging. Thus, the data demonstrated that lower temperatures and high rainfall could favor the production of the major L. alba active compounds (acteoside and tricin‐7‐O‐diglucuronide) and that older plants harm their production.
Polymeric Binders Used in Lithium Ion Batteries: Actualities, Strategies and Trends
Authors: Chen Bin , Zhang Zhe , Xiao Min , Wang Shuanjin , Huang Sheng , Han Dongmei , Meng Yuezhong 
Published: April 2024

AbstractPolymeric binders account for only a small part of the electrodes in lithium‐ion batteries, but contribute an important role of adhesion and cohesion in the electrodes during charge/discharge processes to maintain the integrity of the electrode structure. Therefore, polymeric binders have become one of the key materials to improve the charge/discharge properties of lithium‐ion batteries. Qualified polymer binders should not only require good bond strength, mechanical properties, conductivity, chemical functionality and processing performance, but also be environmentally friendly and low cost. The existing commercial polymeric binders cannot meet all the above requirements at the same time. This is a hot research area that researchers are keen to focus on, and it is hoped that through structural design, the matching of functional groups can meet the requirements of high‐capacity lithium‐ion batteries with long cycle life. Focusing on the structural design of polymer binders, the mechanism of interaction with electrode materials, and the functional properties of polymer binders, this review summarizes the polymer binders used in the cathode and anode in recent years. It could expect that this review can inspire a deep consideration on these critical issues, paving new pathways to improve comprehensive performance of polymer binders.