bluuebunny/crossref_metadata_2025_split huggingface dataset:
Controllable synthesis of cellulose/methylene bisacrylamide aerogels for enhanced adsorption performance
Authors: Song Yibei , Zhou Shuang , Li He , Xie Fei , Yang Hui , Yuan Zhihao , Li Wenjiang 
Published: November 2020

AbstractCellulose‐based aerogels have been regarded as potential adsorbent materials because of their unique structural features and chemical stability. Herein, we prepared the composite aerogels containing cellulose and N,N′‐methylene bisacrylamide (MBA) using N‐methylmorpholine‐N‐oxide (NMMO) as a green solvent via a freeze‐drying process. Owing to the strong chemical interaction between CC bonds of MBA and the functional groups of cellulose, as‐obtained cellulose/MBA aerogels present favorable MBA‐induced thermal/mechanical stable three‐dimensional network structure, in which the abundant macroporous structure, low density and high porosity lead to a significantly enhanced adsorption capacity (260.31 mg∙g−1) toward congo red dye in aqueous solution compared with the pure cellulose aerogels. Moreover, the effect of the cellulose concentration and cross‐linking degree on the morphology and adsorption properties for cellulose/MBA aerogels was systematically investigated. This present work provides a low‐cost and environmental‐friendly synthesis method for designing the functionalization of cellulose‐based aerogel, which may be achieved the advanced performance in wastewater treatment.
High‐refractive index polythiourethane resin based on 2,3‐bis((2‐mercaptoethyl) thio)‐1‐propanethiol and 1,3‐bis(isocyanantomethyl) cyclohexane using tertiary amine catalyst
Authors: Zhang Youwei , Wang Yansong , Chen Yuanyu , Yang Zhao , Chen Mingyue , Qin Zongyi 
Published: November 2020

AbstractHigh‐refractive index (RI) polythiourethane (PTU) resin with good thermal, optical, and mechanical properties was synthesized via thiol‐isocynanate click reaction of 2,3‐bis((2‐mercaptoethyl)thio)‐1‐propanethiol and 1,3‐bis(isocyanantomethyl) cyclohexane using a new tertiary amine catalyst N,N,N′,N′‐tetramethyl‐1,4‐diaminobutane (TMDB). Curing behavior of PTU resin was studied by dynamic differential scanning calorimetry (DSC) technique. Curing technology parameters were optimized by combined use of DSC and fourier transform infrared spectrometry (FTIR). The results indicate that TMDB exhibits higher catalytic activity than commonly used dibutyltin dichloride (DBTC). The Kissinger apparent activation energies at a dosage of 150 ppm TMDB and 150 ppm DBTC are 31.7 and 43.2 kJ mol−1, respectively. PTU resin with a full conversion of thiol and isocynanate was prepared, which exhibited better thermal, optical, and mechanical properties than that reported previously. The resin displays a glass transition temperature of 102 and 129°C determined by DSC and dynamic thermomechanical analysis (DMA), respectively, a 5% weight loss temperature of 279°C in nitrogen, a light transmittance of 87% in the wavelength range of 410–900 nm, a water contact angle of 100°, a high‐RI of 1.617, and an Abbe number of 38. The resin was successfully applied in ophthalmic lenses.
Non‐xenogeneic expansion and definitive endoderm differentiation of human pluripotent stem cells in an automated bioreactor
Authors: Jacobson Elena F. , Chen Zijing , Stoukides Demetrios M. , Nair Gopika G. , Hebrok Matthias , Tzanakakis Emmanuel S. 
Published: November 2020

AbstractScalable processes are requisite for the robust biomanufacturing of human pluripotent stem cell (hPSC)‐derived therapeutics. Toward this end, we demonstrate the xeno‐free expansion and directed differentiation of human embryonic and induced pluripotent stem cells to definitive endoderm (DE) in a controlled stirred suspension bioreactor (SSB). Based on previous work on converting hPSCs to insulin‐producing progeny, differentiation of two hPSC lines was optimized in planar cultures yielding up to 87% FOXA2+/SOX17+ cells. Next, hPSCs were propagated in an SSB with controlled pH and dissolved oxygen. Cultures displayed a 10‐ to 12‐fold increase in cell number over 5–6 days with the maintenance of pluripotency (>85% OCT4+) and viability (>85%). For differentiation, SSB cultures yielded up to 89% FOXA2+/SOX17+ cells or ~ 8 DE cells per seeded hPSC. Specification to DE cell fate was consistently more efficient in the bioreactor compared to planar cultures. Hence, a tunable strategy is established that is suitable for the xeno‐free manufacturing of DE cells from different hPSC lines in scalable SSBs. This study advances bioprocess development for producing a wide gamut of human DE cell‐derived therapeutics.
Discovery and Engineering of a Novel Baeyer‐Villiger Monooxygenase with High Normal Regioselectivity
Authors: Zhang Guang‐Xiang , You Zhi‐Neng , Yu Jia‐Mei , Liu Yuan‐Yang , Pan Jiang , Xu Jian‐He , Li Chun‐Xiu 
Published: November 2020

AbstractBaeyer‐Villiger monooxygenases (BVMOs) are remarkable biocatalysts for the Baeyer‐Villiger oxidation of ketones to generate esters or lactones. The regioselectivity of BVMOs is essential for determining the ratio of the two regioisomeric products (“normal” and “abnormal”) when catalyzing asymmetric ketone substrates. Starting from a known normal‐preferring BVMO sequence from Pseudomonas putida KT2440 (PpBVMO), a novel BVMO from Gordonia sihwensis (GsBVMO) with higher normal regioselectivity (up to 97/3) was identified. Furthermore, protein engineering increased the specificity constant (kcat/KM) 8.9‐fold to 484 s−1 mM−1 for 10‐ketostearic acid derived from oleic acid. Consequently, by using the variant GsBVMOC308L as an efficient biocatalyst, 10‐ketostearic acid was efficiently transformed into 9‐(nonanoyloxy)nonanoic acid, with a space‐time yield of 60.5 g L−1 d−1. This study showed that the mutant with higher regioselectivity and catalytic efficiency could be applied to prepare medium‐chain ω‐hydroxy fatty acids through biotransformation of long‐chain aliphatic keto acids derived from renewable plant oils.
Morpholine‐Substituted Rhodamine Analogue with Multi‐Configurational Switches for Optical Sensing of pH Gradient under Extreme Acidic Environments
Authors: Koga Natsumi , Tanioka Masaru , Kamino Shinichiro , Sawada Daisuke 
Published: November 2020

AbstractSuperior pH‐responsive molecules are required for the development of functional materials applicable to advanced molecular technologies. Despite having been widely developed, many rhodamine‐based pH‐responsive molecules exhibit a single configurational switch for “turn‐on”. Herein, we report a new type of rhodamine‐based pH‐responsive molecule with multi‐configurational switches displaying stable two‐step structural and color conversion in response to pH. This rhodamine analogue could be successfully applied to optical sensing of pH gradient under extreme acidic environments both in solution and on hydrogel through high‐contrast color change. We demonstrated that this multi‐responsive character enabled optical memory of different pH information.
Reversible Speed Regulation of Self‐Propelled Janus Micromotors via Thermoresponsive Bottle‐Brush Polymers
Authors: Fiedler Christine , Ulbricht Christoph , Truglas Tia , Wielend Dominik , Bednorz Mateusz , Groiss Heiko , Brüggemann Oliver , Teasdale Ian , Salinas Yolanda 
Published: November 2020

AbstractThis work reports a reversible braking system for micromotors that can be controlled by small temperature changes (≈5 °C). To achieve this, gated‐mesoporous organosilica microparticles are internally loaded with metal catalysts (to form the motor) and the exterior (partially) grafted with thermosensitive bottle‐brush polyphosphazenes to form Janus particles. When placed in an aqueous solution of H2O2 (the fuel), rapid forward propulsion of the motors ensues due to decomposition of the fuel. Conformational changes of the polymers at defined temperatures regulate the bubble formation rate and thus act as brakes with considerable deceleration/acceleration observed. As the components can be easily varied, this represents a versatile, modular platform for the exogenous velocity control of micromotors.
The effect of left atrial remodeling after cryoballoon ablation and radiofrequency ablation for paroxysmal atrial fibrillation
Authors: Wang Xule , Song Beibei , Qiu Chunguang , Han Zhanying , Wang Xi , Lu Wenjie , Chen Xiaojie , Chen Yingwei , Pan Liang , Sun Guoju , Qin Xiaofei , Li Ran 
Published: November 2020

AbstractBackgroundCryoballoon ablation (CBA) and radiofrequency ablation (RFA) are the most common procedures used to treat refractory atrial fibrillation (AF) and are performed through pulmonary vein isolation (PVI). Studies have shown that CBA can approximately match the therapeutic effects of RFA against AF. However, few studies have investigated the difference between CBA and RFA of the effects on left atrial remodeling for paroxysmal AF.ObjectiveAtrial remodeling is considered pivotal to the occurrence and development of AF, therefore we sought to assess the influence of atrial remodeling in patients with paroxysmal AF after CBA and RFA in this study.MethodsIn this nonrandomized retrospective observational study, we enrolled 328 consecutive patients who underwent CBA or RFA for refractory paroxysmal AF in May 2014 to May 2017 in our hospital. After propensity score matching, 96 patients were included in the CBA group, and 96 were included in the RFA group. Patients were asked to undergo a 12‐lead electrocardiogram, a 24‐h Holter monitor, and an echocardiogram and to provide their clinical history and symptoms at 6 months and 1, 2, and 3 years postprocedurally. Electrical remodeling of the left atrium was assessed by P wave dispersion (Pdis); structural remodeling was assessed by the left atrium diameter (LAD) and left atrial volume index (LAVI) during scheduled visits.ResultsAs of January 2020, compared with baseline, at 1 year, 2 years, and 3 years after ablation, the average changes in Pdis (∆Pdis), LAD (∆LAD), and LAVI (∆LAVI) were significant in both the CBA and RFA groups. Six months after ablation, ∆Pdis, ∆LAD, and ∆LAVI were greater in the CBA group than in the RFA group. There was no significant difference between the two groups in AF/flutter recurrence, but the AF/flutter‐free survival time of CBA group may be longer than RFA group after 2 years after ablation. A higher ∆Pdis, ∆LAD, or ∆LAVI at 1 year after ablation may increase AF/flutter‐free survival.ConclusionsAlthough CBA and RFA are both effective in left atrial electrical and structural reverse‐remodeling in paroxysmal AF, CBA may outperform RFA for both purposes 6 months after ablation. However, during long‐term follow‐up, there was no significant intergroup difference.
The chemical and structural transformation of bamboo wastes during torrefaction process
Authors: Feng Zixing , Yang Jianfei , Ni Liangmeng , Gao Qi , Liu Zhijia 
Published: November 2020

AbstractTo investigate the chemical and structural transformation of bamboo during torrefaction process, bamboo wastes were torrefied at temperatures of 200, 250, and 300°C and residence times of 1.0, 1.5, and 2.0 hr, whose properties were determined by thermogravimetry coupled with mass spectrometry (PY‐MS), Fourier transform infrared spectrometer (FTIR), X‐ray diffraction (XRD), and solid‐state nuclear magnetic resonance spectroscopy (NMR). The results showed that torrefaction improved the energy density and calorific value, reduced the volatile matters, and pollutant emission of bamboo wastes. The chemical and structural transformation of bamboo wastes was due to pyrolysis of some chemical groups. Torrefaction temperatures had the more significant effect than residence times. The energy enrichment factor (EEF), the calorific value improvement (CVI), and fuel ratio (FR) of torrefied bamboo wastes increased with the increase of torrefaction temperatures and residence times. When torrefaction temperatures increased to 300°C, crystalline region of cellulose was destroyed. There were more than 10 families of pyrolysis products, including alcohol, acid, aldehyde, alkane, ester, ether, furan, ketone, phenol, etc. Torrefaction changed the chemical environment of H atoms from aromatics of guaiacs unit, β‐O‐4 structure, β‐β structure to xylan. The β‐O‐4 bond was broken in guaiacle unit and formed aromatization and alkyl side chains. The results will be helpful to reveal torrefaction mechanism of bamboo wastes and further develop their add‐valued utilization as energy products.
Finite‐element modeling of the seismic response of reinforced masonry wall structures
Authors: Koutras Andreas A. , Shing P. Benson 
Published: November 2020

AbstractModern design codes and performance‐based earthquake engineering rely heavily on computational tools to assess the seismic performance and collapse potential of structural systems. This paper presents a detailed finite‐element (FE) modeling scheme for the simulation of the seismic response of reinforced masonry (RM) wall structures. Smeared‐crack shell elements are combined with cohesive discrete‐crack interface elements to capture crushing and tensile fracture of masonry. Beam elements incorporating geometric as well as material nonlinearity are used to capture the yielding, buckling, and fracture of the reinforcing bars. The beam elements are connected to the shell elements through interface elements that simulate the bond‐slip and dowel‐action effects. An element removal scheme is introduced to enhance the robustness and accuracy of the numerical computation. The material models and interface elements have been implemented in a commercial FE analysis program. The modeling scheme is validated with data from quasi‐static cyclic tests on RM walls as well as with results from shake‐table tests on RM building systems.
S100 calcium‐binding protein A9 from tumor‐associated macrophage enhances cancer stem cell‐like properties of hepatocellular carcinoma
Authors: Wei Ran , Zhu Wen‐Wei , Yu Guang‐Yang , Wang Xuan , Gao Chao , Zhou Xu , Lin Zhi‐Fei , Shao Wei‐Qing , Wang Sheng‐Hao , Lu Ming , Qin Lun‐Xiu 
Published: November 2020

AbstractTumor‐associated macrophages (TAMs) are crucial components of the tumor microenvironment. They play vital roles in hepatocellular carcinoma (HCC) progression. However, the interactions between TAMs and HCC cells have not been fully characterized. In this study, TAMs were induced using human monocytic cell line THP‐1 cells in vitro to investigate their functions in HCC progression. S100 calcium‐binding protein A9 (S100A9), an inflammatory microenvironment‐related secreted protein, was identified to be significantly upregulated in TAMs. S100A9 expression in tumor tissues was associated with poor survival of HCC patients. It could enhance the stem cell‐like properties of HepG2 and MHCC‐97H cells by activating nuclear factor‐kappa B signaling pathway through advanced glycosylation end product‐specific receptor in a Ca2+‐dependent manner. Furthermore, we found that, after treatment with S100A9, HepG2 and MHCC‐97H cells recruited more macrophages via chemokine (CC motif) ligand 2, which suggests a positive feedback between TAMs and HCC cells. Taken together, our findings reveal that TAMs could upregulate secreted protein S100A9 and enhance the stem cell‐like properties of HCC cells and provide a potential therapeutic target for combating HCC.
Stock liquidity and trade credit: Evidence from Indian firms
Authors: Altaf Nufazil 
Published: November 2020

AbstractThe study examines the relationship between stock liquidity and the firms' extension and use of trade credit. In addition, this study examines the impact of financial constraints and dependence on external financing on the relationship between stock liquidity and trade credit. The study is based on secondary data of non‐financial Indian companies obtained from Center for Monitoring of Indian Economy Prowess database, pertaining to a period of 18 years (2000–2018). This study employs two‐step generalized method of moment's technique to arrive at results. Results of study confirm that firms with more liquid stock tend to provide more trade credit to their customers and also reduce the use of expensive trade credit financing from suppliers. Further, we find that higher stock liquidity is associated with significantly longer receivable period and shorter payable period for firms facing high financial constraints and also for firms with high external financial dependence.
Can PBPK Modeling Streamline Food Effect Assessments?
Authors: Kesisoglou Filippos 
Published: November 2020

AbstractPhysiologically based pharmacokinetic (PBPK) modeling is routinely used to study drug‐drug interactions, replace some dedicated clinical studies, and inform product labeling. More recently, there has been increased application of PBPK models in the oral absorption field around drug product quality. Given the success of the models to characterize absorption of several orally administered drug products, a question arises whether PBPK could be used in a clinical setting to model food‐drug interactions and thus streamline food effect assessments. Multiple publications have reported food effect predictions and comparisons with clinical data, primarily focusing on 2 food effect mechanisms: slowing down of gastric emptying and luminal solubilization by bile salts. Based on the available literature, this commentary proposes a workflow that PBPK model could be used to streamline food effect assessment during clinical development for different Biopharmaceutics Classification System classes.
Chimeric Antigen Receptor T Cell Therapies: A Review of Cellular Kinetic‐Pharmacodynamic Modeling Approaches
Authors: Chaudhury Anwesha , Zhu Xu , Chu Lulu , Goliaei Ardeshir , June Carl H. , Kearns Jeffrey D. , Stein Andrew M. 
Published: November 2020

AbstractChimeric antigen receptor T cell (CAR‐T cell) therapies have shown significant efficacy in CD19+ leukemias and lymphomas. There remain many challenges and questions for improving next‐generation CAR‐T cell therapies, and mathematical modeling of CAR‐T cells may play a role in supporting further development. In this review, we introduce a mathematical modeling taxonomy for a set of relatively simple cellular kinetic‐pharmacodynamic models that describe the in vivo dynamics of CAR‐T cell and their interactions with cancer cells. We then discuss potential extensions of this model to include target binding, tumor distribution, cytokine‐release syndrome, immunophenotype differentiation, and genotypic heterogeneity.
The Current Landscape of Novel Formulations and the Role of Mathematical Modeling in Their Development
Authors: Cottura Nicolas , Howarth Alice , Rajoli Rajith K.R. , Siccardi Marco 
Published: November 2020

AbstractDrug delivery is an integral part of the drug development process, influencing safety and efficacy of active pharmaceutical ingredients. The application of nanotechnology has enabled the discovery of novel formulations for numerous therapeutic purposes across multiple disease areas. However, evaluation of novel formulations in clinical scenarios is slow and hampered due to various ethical and logistical barriers. Computational models have the ability to integrate existing domain knowledge and mathematical correlations, to rationalize the feasibility of using novel formulations for safely enhancing drug delivery, identifying suitable candidates, and reducing the burden on preclinical and clinical studies. In this review, types of novel formulations and their application through several routes of administration and the use of modeling approaches that can find application in different stages of the novel formulation development process are discussed.
Neural network and cubist algorithms to predict fecal coliform content in treated wastewater by multi‐soil‐layering system for potential reuse
Authors: Sbahi Sofyan , Ouazzani Naaila , Hejjaj Abdessamed , Mandi Laila 
Published: November 2020

AbstractThis study aims to find the most accurate machine learning algorithms as compared to linear regression for prediction of fecal coliform (FC) concentration in the effluent of a multi‐soil‐layering (MSL) system and to identify the input variables affecting FC removal from domestic wastewater. The effluent quality of two different designs of the MSL system was evaluated and compared for several parameters for potential reuse in agriculture. The first system consisted of a single‐stage MSL (MSL‐SS), and the second system consisted of a two‐stage MSL (MSL‐TS). The concentration of FC in the effluent of the MSL‐TS system was estimated by three machine learning algorithms: artificial neural network (ANN), Cubist, and multiple linear regression (MLR). The accuracy of the models was measured by comparing the real and predicted values. Significant (p < .001) improvements were noted for the removal of pollutants by the MSL‐TS system compared with the MSL‐SS system. Overall, the water quality parameters investigated complied with FAO irrigation standards. The predictive performance of the models has been compared and evaluated using several metrics. The results revealed that the ANN model yielded a superior predictive performance (R2 = .953), followed by the Cubist model (R2 = .946) and the MLR technique (R2 = .481). Based on the accurate model (ANN), the degree of influence of each predictor was investigated, and the results show that total suspended solids and pH have proved to be more useful for predicting FC concentrations.
A retrospective analysis of the care cascades for non‐communicable disease and mental health among people living with HIV at a tertiary‐care centre in Malaysia: opportunities to identify gaps and optimize care
Authors: Meng Li Chong , Jie Ying Fong , Raj Dhevann , Pui Li Wong , Kukreja Anjanna , Omar Sharifah FS , Kamarulzaman Adeeba , Rajasuriar Reena 
Published: November 2020

AbstractIntroductionThe rapidly growing epidemic of non‐communicable diseases (NCDs) including mental health among aging people living with HIV (PLWH) has put a significant strain on the provision of health services in many HIV clinics globally. We constructed care cascades for specific NCDs and mental health among PLWH attending our centre to identify potential areas for programmatic improvement.MethodsThis was a follow‐up study of participants recruited in the Malaysian HIV & Aging study (MHIVA) from 2014 to 2016 at the University Malaya Medical Centre (n = 336). PLWH on suppressive antiretroviral therapy (ART) for a minimum of 12 months were invited to participate. At study entry, all participants underwent screening for diabetes (DM), hypertension (HTN) and dyslipidaemia; and completed assessments using the depression, anxiety and stress scale (DASS‐21). Screening results were recorded in medical charts and clinical management provided as per standard of care. A subsequent review of medical records was performed at 24 months following study completion among participants who remained on active follow‐up. Treatment pathways for NCD treatment and psychiatric referrals were assessed based on local practice guidelines to construct the care cascade.ResultsA total of 329 participants (median age = 43 years, 83% male, 100% on ART) completed follow‐up at 24 months. The prevalence of diabetes was 13%, dyslipidaemia 88% and hypertension 44%, whereas 23% presented with severe/extremely severe symptoms of depression, anxiety and/or stress. More than 50% of participants with dyslipidaemia and hypertension were not diagnosed until study screening, whereas over 80% with prevalent psychiatric symptoms were not previously recognized clinically. Suboptimal control of fasting lipids, sugar and blood pressure were found in the majority of participants despite optimal HIV treatment outcomes maintained over this same period. Only 32% of participants with severe/extremely severe mental health symptoms received psychiatric referrals and 83% of these attended their psychiatry clinic appointments.ConclusionsSystematic screening must be introduced to identify NCDs and mental health issues among PLWH followed by proper linkage and referrals for management of screen‐positive cases. Assessment of factors associated with attrition at each step of the care cascade is critically needed to improve health outcomes in our aging patients.