bluuebunny/crossref_metadata_2025_split huggingface dataset:
Improved formulation of the latent variable model inversion–based optimization problem for quality by design applications
Authors: Palací‐López Daniel , Villalba Pedro , Facco Pierantonio , Barolo Massimiliano , Ferrer Alberto 
Published: February 2020

AbstractLatent variable regression model (LVRM) inversion is a relevant tool for finding, if they exist, different combinations of manufacturing conditions that yield the desired process outputs. Finding the best manufacturing conditions can be done by optimizing an appropriately formulated objective function using nonlinear programming. To this end, different formulations of the optimization problem based on LVRM inversion have been proposed in the literature that allow the use of happenstance data (eg, historical data) for this purpose, present lower computational costs than optimizing in the space of the original variables, and guarantee that the solution will conform to the correlation structure of available data from the past. However, these approaches, as presented, suffer from some limitations, such as having to actively modify the constraints imposed on the solution to achieve different sets of conditions to those available in the LVRM calibration dataset, or the lack of a standardized approach for optimizing a linear combination of variables. Furthermore, when minimizing or maximizing one or more outputs, a severe handicap is also present related to the definition of arbitrarily low or high “desired” values. This paper aims at tackling all of these issues. The resulting proposed formulation of the optimization problem is illustrated with three case studies.
Atroposelective Synthesis of 3,3’‐Bisindoles Bearing Axial and Central Chirality: Using Isatin‐Derived Imines as Electrophiles
Authors: Sheng Feng‐Tao , Li Zhi‐Min , Zhang Yi‐Zhu , Sun Li‐Xing , Zhang Yu‐Chen , Tan Wei , Shi Feng 
Published: February 2020

Summary of main observation and conclusionAn atroposelective synthesis of a new class of 3,3’‐bisindoles bearing axial and central chirality has been established via catalytic asymmetric addition reactions using isatin‐derived imines as electrophiles (23 examples, up to 80% yield, > 95 : 5 dr, 98 : 2 er). This approach takes advantage of chiral phosphoric acid‐catalyzed dynamic kinetic resolution of 2‐substituted 3,3’‐bisindoles via nucleophilic addition of such substrates with isatin‐derived imines. In this approach, isatin‐derived imines acted as a class of competent electrophiles due to their high reactivity and bulky size, which provided an easy access to axially chiral 3,3'‐bisindoles incorporated with a biologically important chiral 3‐aminooxindole unit. This approach has greatly expanded the generality and applicability of the strategy of dynamic kinetic resolution for the synthesis of enantioenriched 3,3’‐bisindole derivatives bearing both axial and central chirality.
Trends in prevalence of guideline‐based use of lipid‐lowering therapy in a large health system
Authors: Sidebottom Abbey C. , Vacquier Marc C. , Jensen Joseph C. , Bradley Steven M. , Knickelbine Thomas , Strauss Craig , Miedema Michael D. 
Published: February 2020

AbstractBackgroundThe 2013 ACC/AHA (American College of Cardiology/American Heart Association) cholesterol guidelines provided an evidence‐based rationale for the allocation of lipid‐lowering therapy based on risk for atherosclerotic cardiovascular disease (ASCVD). Adoption of these guidelines was initially suboptimal but whether this has improved over time remains unclear.HypothesisPrevalence of guideline‐based statin therapy will increase over time.MethodsElectronic health record data were used to create two cross‐sectional data sets of patients (age 40‐75) served in 2013 and 2017 by a large health system. Data sets included demographics, clinical risk factors, lipid values, diagnostic codes, and active medication orders during each period. Prevalence of indications for statin therapy according to the ACC/AHA guidelines and statin prescriptions were compared between each time period.ResultsIn 2013, of the 219 376 adults, 57.7% of patients met statin eligibility criteria, of which 61.3% were prescribed any statin and 19.0% a high intensity statin. Among those eligible, statin use was highest in those with established ASCVD (83.9%) and lowest in those with elevated ASCVD risk >7.5% (39.3%). In 2017, of the 256 074 adults, 62.3% were statin eligible, of which 62.3% were prescribed a statin and 24.3% a high intensity statin. In 2017, 66.4% of statin eligible men were prescribed a statin compared to 57.4% of statin eligible women (P < 0.001). The use of ezetimibe (3.6% in 2013, 2.4% in 2017) and protein convertase subtilisin/kexin type 9 inhibitors (<0.1% and 0.1%) was infrequent.ConclusionIn a large health system, guideline‐based statin use has remained suboptimal. Improved strategies are needed to increase statin utilization in appropriate patients.
A logically centralized slotted ALOHA‐based scheme for broadcast services in vehicular ad hoc networks
Authors: Peng Shenglong , Zhou Liang , Du Junyi , He Xuan 
Published: February 2020

AbstractIn the vehicular ad hoc networks, a slotted ALOHA‐based scheme for effective broadcast services is essential to disseminate the control and safety packets since it can avoid the slot collision issues. Existing slotted ALOHA‐based schemes, for example, VeMAC, simply abandon the conflicting slots for all the collided nodes, which leads to a high collision probability and low wireless resource utilization. To address this issue, a logically centralized slotted ALOHA‐based (LC‐SA) scheme is proposed in this article. Different from the traditional slotted ALOHA‐based schemes, the proposed LC‐SA scheme solves the slot release problem and improves the rate of successful channel access. In the LC‐SA scheme, a control node is enabled to reserve time slots for its neighbor nodes. In this way, a collided node within the communication range of the control node will continue to acquire this time slot if a collision is implied, while other collided nodes out of range will release this time slot to prevent another collision. Simulation results in both perfect and imperfect channel conditions are presented. The LC‐SA scheme is verified to have higher throughput than VeMAC, due to more a rapid channel access speed and fewer access collisions.
Studies on qualitative and quantitative detection of trehalose purity by terahertz spectroscopy
Authors: Huang Luelue , Li Chen , Li Bin , Liu Miaoling , Lian Miaomiao , Yang Shaozhuang 
Published: February 2020

AbstractTerahertz spectroscopy was used to qualitatively and quantitatively analyze four samples (three brands) of trehalose produced in China and other countries. The results show that the main characteristic peak was greatly affected by concentration, and the optimal detection concentration of trehalose was determined to be 25%–55% by transmission scanning. There were six significant characteristic absorption peaks in the trehalose spectrum, meaning that terahertz spectroscopy can be used for qualitative analysis, analogous to infrared spectroscopy. Moreover, the terahertz spectrum can effectively distinguish the three isomers of trehalose, whereas infrared spectroscopy cannot. Thus, it was found that the current commercially available trehalose is the α,α‐isomer. Quantitative analysis of the three brands of trehalose using terahertz spectroscopy matched the purity trends found by high‐performance liquid chromatography analysis, with the order of purity from highest to lowest being TREHA, Pioneer, and Huiyang. The actual quantitative values did differ between the two detection methods, but the variation in the values from the same sample obtained by the two detection methods was less than 5%, confirming that terahertz spectroscopy is very suitable for the rapid and relative quantitative detection of trehalose.
Production and evaluation of biosynthesized cellulose tubes as promising nerve guides for spinal cord injury treatment
Authors: Stumpf Taisa R. , Tang Linda , Kirkwood Kathlyn , Yang Xiuying , Zhang Jingchang , Cao Xudong 
Published: February 2020

AbstractSpinal cord injury (SCI) is a central nervous disorder that can result in permanent motor and sensory damage due to a severed communication pathway. Although there is currently no effective treatment, nerve guide tubes have been used to bridge the injured stumps and act as drug delivery systems. In this study, biosynthesized cellulose (BC) nerve guides were prepared, and nerve growth factor (NGF)—a model growth factor—was incorporated into the tubular nerve guide in order to obtain a nerve guide/drug delivery system to assist the regeneration. To achieve this, Gluconacetobacter hansenii was cultivated in a special bioreactor to produce biosynthesized cellulose tubes (BCTs) in situ, and the physical and mechanical properties of the BCTs obtained from different cultivation time points were evaluated. Our results showed that the properties of the BCTs were comparable to those of the native human neural tissues, and that the NGF released from the BCTs was bioactive for at least 7 days as evaluated by PC12 cell cultures in vitro. In summary, this study evaluated the use of BCT as a drug releasing nerve guide, and our results showed that the BCT is an attractive strategy to enhance nerve regeneration after the SCI.
Predicting peak summer monsoon precipitation over Pakistan in ECMWF SEAS5 and North American Multimodel Ensemble
Authors: Ehsan Muhammad Azhar , Tippett Michael K. , Kucharski Fred , Almazroui Mansour , Ismail Muhammad 
Published: February 2020

AbstractThe potential and actual forecast skill of peak summer monsoon precipitation (July–August [JA]) over the core summer monsoon region of Pakistan (CSMRP: 68°–76°E, 30°–36°N) is investigated. The predictions from the latest version of the European Centre for Medium‐Range Weather Forecast System5 (SEAS5) and the North American Multimodel Ensemble (NMME) initialized in the beginning of June, May, and April are utilized. The potential skill is estimated by signal‐to‐noise ratio and perfect model correlation. The forecast skill is evaluated using the temporal anomaly correlation as well as the ranked probability skill score for probabilistic forecasts. The SEAS5 generally captures the observed climatological mean and variability patterns of peak summer monsoon precipitation over the region, with some biases mainly located over the complex topography zones. Observed SST anomalies in the El Niño–Southern Oscillation (ENSO) region are negatively correlated with observed peak summer monsoon precipitation over the region. The ENSO–precipitation connection is weakly reproduced in SEAS5 at Lead‐1 and fades gradually with increasing lead time. The potentially predictable component (signal) is small compared to the unpredictable part (noise). Nonetheless, statistically significant potential skill is found over the CSMRP. However, the forecast skill of peak summer monsoon precipitation over the region is lower than the potential skill in SEAS5. A multimodel ensemble average of five models shows little benefit in predicting peak monsoon precipitation over Pakistan. Extended spatial averaging has some impact on the skill; however, temporal averaging has no effect on the skill of the summer monsoon precipitation in SEAS5. Together these results show limitations of the current seasonal prediction models and demonstrate their inadequate performance in predicting peak summer monsoon precipitation over Pakistan.
Controlling the thermomechanical properties of biobased ABA triblock copolymers comprising polylactide (A) and poly(1,2‐propylene succinate) (B) with high molecular weight
Authors: Nishiwaki Yasumasa , Masutani Kazunari , Kimura Yoshiharu , Lee Chan‐Woo 
Published: February 2020

AbstractBis‐hydroxyl‐terminated poly(1,2‐propylene succinate) (PPS‐diols) with high molecular weight (10–40 kDa) are prepared by two‐step melt polycondensation of succinic acid and 1,2‐propanediol with Ti(BuO)4 as the catalyst. By using these PPS‐diols as macroinitiators, the ring‐opening polymerization of d‐ and l‐lactides is readily conducted to obtain enantiomeric ABA triblock copolymers consisting of poly(l‐lactide) and PPS (B) (t‐l‐PPS) as well as those of poly(d‐lactide) and PPS (B) (t‐d‐PPS) which have higher PPS compositions (20–70 wt%) in addition to high molecular weight (20–80 kD). The Tg, Tm, and ΔHm values of the t‐l‐PPS copolymers as well as the stereo mixtures of t‐l‐PPS/t‐d‐PPS are controlled to linearly decrease with increasing the PPS content. The copolymers also exhibit higher elastomeric properties with increasing the PPS content. The tensile properties of the copolymer films having higher PPS contents (both the single block copolymers and stereo mixtures) are comparable to those of the oil‐based thermoplastic elastomers. It is therefore concluded that these block copolymers can afford thermoplastic elastomers or flexible plastic materials having a 100% biobased content.
A one‐class peeling method for multivariate outlier detection with applications in phase I SPC
Authors: Martinez Waldyn G. , Weese Maria L. , Jones-Farmer L. Allison 
Published: February 2020

AbstractIn phase I of statistical process control (SPC), control charts are often used as outlier detection methods to assess process stability. Many of these methods require estimation of the covariance matrix, are computationally infeasible, or have not been studied when the dimension of the data, , is large. We propose the one‐class peeling (OCP) method, a flexible framework that combines statistical and machine learning methods to detect multiple outliers in multivariate data. The OCP method can be applied to phase I of SPC, does not require covariance estimation, and is well suited to high‐dimensional data sets with a high percentage of outliers. Our empirical evaluation suggests that the OCP method performs well in high dimensions and is computationally more efficient and robust than existing methodologies. We motivate and illustrate the use of the OCP method in a phase I SPC application on a , dimensional data set containing Wikipedia search results for National Football League (NFL) players, teams, coaches, and managers. The example data set and R functions,OCP.RandOCPLimit.R, to compute the respective OCP distances and thresholds are available in the supplementary materials.
TiO2 Nanoparticles Decorated on BiOCl Flakes with Enhanced Visible Light Photocatalytic Activity
Authors: Shinde Deepali S. , Bhange Pallavi D. , Jha Ratnesh K. , Bhange Deu S. 
Published: February 2020

AbstractFacile preparation route for BiOCl and BiOCl/TiO2 nanocomposites with TiO2 nanoparticles decorated on BiOCl flakes via solution combustion method is reported in the present paper. Structural, textural and optical properties of the prepared materials are extensively studied using various physicochemical characterization tools such as X‐ray diffraction (XRD), field‐emission scanning electron microscopy (FE‐SEM), transmission electron microscopy (TEM), UV‐vis spectroscopy (DRS), N2 adsorption‐desorption study (BET), photoluminescence spectroscopy (PL), etc. BiOCl/TiO2 nanocomposites show a red shift in the light absorption as compared to that of bare BiOCl which leads to the extended absorption in visible light region. Further photocatalytic experiments for Rhodamine B and phenol degradation demonstrate that the BiOCl/TiO2 nanocomposites have superior photocatalytic properties than bare BiOCl. Improved photocatalytic performance of BiOCl/TiO2 composites is attributed to the synergistic effect between BiOCl flakes and TiO2 nanoparticles, extended visible light absorption and delayed charge recombination.
Influence of Stirring Time on the Electrochemical Properties of NiCo2S4 Hexagonal Plates and NiCo−OH Nanoparticles as High‐Performance Pseudocapacitor Electrode Materials
Authors: Sajjad Muhammad , Xu Chen , Guan Linlin , Zhang Shuyu , Jiao Yangjing , Zhang Shuangshuang , Lin Yuting , Ren Yang , Zhou Xiaowei , Liu Zhu 
Published: February 2020

AbstractThis study investigated the morphology dependent electrochemical behavior tuned with different stirring times (1, 5, 10, 20, 40 min, and 1 hr.) for NiCo2S4 hexagonal plate (NCS hexagonal plate) and NiCo−OH nanoparticles (NiCo−OH NPs). The altered nanostructure properties are well supported by in‐depth structural and morphological analysis. When used as electrodes for supercapacitor, both NCS hexagonal plates and NiCo−OH NPs (prepared at stirring time of 20 min and 5 min, respectively) exhibit maximum specific capacitances of 833 and 733 mF cm−2 at the current density of 10 mA cm−2 along with superior rate and stable cycling performance due to their beneficial structural features. Moreover, the stability study showed 69.0 % and 67.0 % capacitance retention after 5000 cycles, indicating excellent stability of the samples. These outstanding properties manifest that the unique hierarchical structures promised as a suitable electrode material for the energy storage field shortly.
A Base‐Free Pd‐Precatalyst Mediated Suzuki‐Miyaura and Sonogashira Cross‐Coupling in Deep Eutectic Solvents
Authors: Thiyagamurthy Pandurangan , Khan Fazlur Rahman Nawaz 
Published: February 2020

AbstractA volatile organic solvent‐free deep eutectic solvent (DES) was prepared by utilizing 1 : 10 ratio of potassium carbonate (PC) as a hydrogen bond acceptor (HBA) and ethylene glycol (EG) as a hydrogen bond donor (HBD). Subsequently, DES was utilized as a solvent in the Pd‐catalyzed Suzuki‐Miyaura or Sonogashira cross‐coupling reactions of boronic acids or acetylenes respectively with in situ generated 2‐bromobenzo[2,3][1,4]oxazepino[7,6‐b]quinoline, 3 The anhydrous conditions without air exclusion, low catalyst loading, low toxicity, high efficiency, low cost, and bioavailability are the advantages of DES in C−C bond forming reactions. Moreover, a gram‐scale reaction under mild conditions with an excellent yield was productive. The one‐pot reaction of 6‐bromo‐2‐chloroquinoline‐3‐carbaldehyde, 1 through 2‐bromobenzo [2,3][1,4]oxazepino [7,6‐b]quinoline, 3 intermediate, and subsequent Suzuki‐Miyaura or Sonogashira coupling was successfully attempted.
Ursane‐ and oleane‐type triterpene glycosides from Ilex godajam
Authors: Huong Pham Thi Mai , Hanh Tran Thi Hong , Huong Phan Thi Thanh , Cuong Nguyen The , Hoan Duong Thi , Quang Tran Hong , Cuong Nguyen Xuan , Nam Nguyen Hoai 
Published: February 2020

AbstractSeven triterpenoid glycosides namely ilekudinoside D (1), kudinoside H (2), mateside (3), suavissimoside R1 (4), 3β‐[(α‐L‐arabinopyranosyl)oxy]‐19α‐hydro‐xyolean‐12‐en‐28‐oic acid 28‐β‐D‐glucopyranosyl ester (5), ilexoside XXXI (6), and silphioside B (7) were isolated from a methanol extract of the Ilex godajam branches and leaves by various chromatographic separations. Their structures were elucidated by extensive analysis of their NMR spectroscopic data as well as comparison of them with those reported. Compounds 1‐3 and 5‐7 were firstly isolated from I. godajam.
Kinetic modeling of thermal decomposition of sugarcane bagasse in the inert gas environment
Authors: Van Nam Huynh , Tam Truong Thanh , Tho Van Dinh Son 
Published: February 2020

AbstractSugarcane bagasse was characterized by thermogravimetric analysis (TGA) with the different heating rates, and nitrogen carrier from 30 to 800 oC. Through decreasing the sample's mass by temperature, the stage of thermal decomposition could be determined. Specifically, there were three stages of decomposition including moisture escape stage, decomposition of cellulose stage, hemicellulose and lignin decomposition stage. On the other hand, based on the results of TGA the activation energy of decomposition process was determined by the inverse of the Flynn‐Wall‐Ozawa (FWO) method and Kissinger‐Akahira‐Sunose (KAS) method. The calculated results were compared with the activation energy by the Coats‐Redfern method and Criado method in order to find the kinetics of bagasse pyrolysis process. Accordingly, when the conversion of reaction was lower than 75 %, corresponding to the decomposing process of hemicellulose and cellulose, the thermal decomposing process of bagasse obeyed diffusion kinetics of model D2, D3 and D4.
An experimental and computational study of antioxidant activity of N‐phenylthiourea and N‐phenylselenourea analogues
Authors: Huong Dinh Quy , Duong Tran , Nam Pham Cam 
Published: February 2020

AbstractThe antioxidant performance of N‐phenylthiourea has been experimentally studied via the half maximal inhibitory concentration value (IC50) in combination with quantum calculations. In the experimental part, DPPH• (1,1‐diphenyl‐2‐picrylhydrazyl) radical scavenging ability of N‐phenylthiourea (IC50) was measured to be 4.82.10‐4 M. Based on three antioxidant mechanisms being hydrogen atom transfer (HAT), single electron transfer followed by proton transfer (SETPT) and sequential proton loss electron transfer (SPLET), the essential thermoparameters of N‐phenylthiourea derivatives were carried out at ROB3LYP/6‐311++G(2df,2p)//B3LYP/6‐311G(d,p) in both gas phase and ethanol in order to evaluate their antioxidant capacity. For the sake of comparison, N‐phenylselenourea derivatives were also taken into account. The computational results indicated that the antioxidant of N‐phenylselenourea is better than that of N‐phenulthiourea. Besides, potential energy surfaces of N‐phenylselenourea derivatives and HOO•radical were investigated. All the reactions were thermodynamically favored. The derivatives containing the electron donating group at the para position of N‐phenylselenourea considerably enhanced their antioxidant capacity. As a result, para‐N(CH3)2‐C6H4‐NH‐CSe‐NH2 was the best potential antioxidant in the studied compounds.
|Vub| determination and testing of lepton flavour universality in semileptonic Bc → D(∗) decays
Authors: Leljak Domagoj , Melić Blaženka 
Published: February 2020

Abstract
In light of prospects for measurements of Bc → D(∗)lv decays in the upcoming Upgrade II of the LHC, we show that by using calculated Bc → D(∗) form factors a competitive extraction of the |Vub| CKM matrix element from the $$ {B}_c\to D\mu {\overline{v}}_{\mu } $$

B
c

→
Dμ

v
¯

μ

decay might be possible. To minimize experimental and theoretical uncertainties we provide the ratio |Vub|/|Vcb| by normalizing the $$ {B}_c\to {D}^{\left(\ast \right)}\mu {\overline{v}}_{\mu } $$

B
c

→

D

∗

μ

v
¯

μ

to $$ {B}_c\to J/\psi \mu {\overline{v}}_{\mu } $$

B
c

→
J
/
ψμ

v
¯

μ

decay. We also briefly examine the suggestion to extract |Vub|/|Vcs| from the theoretically interesting ratio of $$ {B}_c\to {D}^0e{\overline{v}}_e $$

B
c

→

D
0

e

v
¯

e

and $$ {B}_c\to {B}_se{\overline{v}}_e $$

B
c

→

B
s

e

v
¯

e

decay rates in the zero-recoil limit. With the present average value of |Vub|, the predicted branching ratios are estimated to be $$ BR\left({B}_c\to {D}^0\mu {\overline{\nu}}_{\mu}\right)=\left(2.4\pm 0.4\right)\cdotp {10}^{-5} $$
BR

B
c

→

D
0

μ

ν
¯

μ

=

2.4
±
0.4

·

10

−
5

and $$ BR\left({B}_c\to {D}^{\ast}\mu {\overline{\nu}}_{\mu}\right)=\left(7\pm 3\right)\cdotp {10}^{-5}, $$
BR

B
c

→

D
∗

μ

ν
¯

μ

=

7
±
3

·

10

−
5

,
and the semileptonic ratios for testing the lepton flavour universality in these Bc decays are Rc(D0) = 0.64 ± 0.05 and Rc(D∗) = 0.55 ± 0.05. We also provide q2 distributions and various angular observables of Bc→ D(∗)lν decays.
O(d, d) covariant string cosmology to all orders in α′
Authors: Bernardo Heliudson , Brandenberger Robert , Franzmann Guilherme 
Published: February 2020

AbstractRecently, all duality invariantα′-corrections to the massless NS-NS sector of string theory on time-dependent backgrounds were classified and the form of their contribution to the action were calculated. In this paper we introduce matter sources in the resulting equations of motion in an O(d, d) covariant way. We show that either starting with the corrected equations and sourcing them with matter or considering corrections to the matter sourced lowest order equations give the same set of equations that defines string cosmology to all orders inα′. We also discuss perturbative and non-perturbative de Sitter solutions including matter.