bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enantioseparations of polyhalogenated 4,4’‐bipyridines on polysaccharide‐based chiral stationary phases and molecular dynamics simulations of selector–selectand interactions
Authors: Dallocchio Roberto , Sechi Barbara , Dessì Alessandro , Chankvetadze Bezhan , Cossu Sergio , Mamane Victor , Weiss Robin , Pale Patrick , Peluso Paola 
Published: March 2021

Abstract2’‐(4‐Pyridyl)‐ and 2’‐(4‐hydroxyphenyl)‐TCIBPs (TCIBP = 3,3’,5,5’‐tetrachloro‐2‐iodo‐4,4’‐bipyridyl) are chiral compounds that showed interesting inhibition activity against transthyretin fibrillation in vitro. We became interested in their enantioseparation since we noticed that the M‐stereoisomer is more effective than the P‐enantiomer. Based thereon, we recently reported the enantioseparation of 2’‐substituted TCIBP derivatives with amylose‐based chiral columns. Following this study, herein we describe the comparative enantioseparation of both 2’‐(4‐pyridyl)‐ and 2’‐(4‐hydroxyphenyl)‐TCIBPs on four cellulose phenylcarbamate‐based chiral columns aiming to explore the effect of the polymer backbone, as well as the nature and position of substituents on the side groups on the enantioseparability of these compounds. In the frame of this project, the impact of subtle variations of analyte and polysaccharide structures, and mobile phase (MP) polarity on retention and selectivity was evaluated. The effect of temperature on retention and selectivity was also considered, and overall thermodynamic parameters associated with the analyte adsorption onto the CSP surface were derived from van ’t Hoff plots. Interesting cases of enantiomer elution order (EEO) reversal were observed. In particular, the EEO was shown to be dependent on polysaccharide backbone, the elution sequence of the two analytes being P‐M and M‐P on cellulose and amylose tris(3,5‐dimethylphenylcarbamate), respectively. In this regard, a theoretical investigation based on molecular dynamics (MD) simulations was performed by using amylose and cellulose tris(3,5‐dimethylphenylcarbamate) nonamers as virtual models of the polysaccharide‐based selectors. This exploration at the molecular level shed light on the origin of the enantiodiscrimination processes.
Nanofiltration membrane for bio‐separation: Process‐oriented materials innovation
Authors: Cao Yang , Chen Guoqiang , Wan Yinhua , Luo Jianquan 
Published: March 2021

AbstractNanofiltration (NF) with advantages of high efficiency and low‐cost has attracted increasing attentions in bio‐separation. However, the large‐scale application is limited by the inferior molecular selectivity, low chemical stability and serious membrane fouling. Many efforts, thus, have been devoted in NF materials design for specific applications to enhance the separation efficiency of bio‐products and increase membrane life‐time, as well as reduce the operating cost. This review summarized the recent progress of NF applications in bio‐separation, discussed various demands for NF membrane in the bio‐products purification and corresponding material innovations, finally proposed several practical suggestions for future research, which provided directions and guidance toward further product development and process industrialization.
Brain dynamics: Synchronous peaks, functional connectivity, and its temporal variability
Authors: Rolls Edmund T. , Cheng Wei , Feng Jianfeng 
Published: March 2021

AbstractWe describe advances in the understanding of brain dynamics that are important for understanding the operation of the cerebral cortex in health and disease. Peaks in the resting state fMRI BOLD signal in many different brain areas can become synchronized. In data from 1,017 participants from the Human Connectome Project, we show that early visual and connected areas have the highest probability of synchronized peaks. We show that these cortical areas also have low temporal variability of their functional connectivity. We show that there is an approximately reciprocal relation between the probability that a brain region will be involved in synchronized peaks and the temporal variability of the connectivity of a brain region. We show that a high probability of synchronized peaks and a low temporal variability of the connectivity of cortical areas are related to high mean functional connectivity, and provide an account of how these dynamics with some of the properties of avalanches arise. These discoveries help to advance our understanding of cortical operation in health, and in some mental disorders including schizophrenia.
A Prospective Study Evaluating Changes in Histology, Clinical and Virologic Outcomes in HBV‐HIV Co‐infected Adults in North America
Authors: Sterling Richard K. , King Wendy C. , Khalili Mandana , Chung Raymond T. , Sulkowski Mark , Jain Mamta K. , Lisker‐Melman Mauricio , Ghany Marc G. , Wong David K. , Hinerman Amanda S. , Bhan Atul K. , Wahed Abdus S. , Kleiner David E. ,   the HBV‐HIV Cohort Study of the Hepatitis B Research Network
Published: March 2021

Background and Aims
Histological and clinical outcomes in HBV‐HIV coinfection in the era of combination antiretroviral therapy (cART) are poorly defined.

Approach and Results
Adult patients co‐infected with HBV‐HIV from eight North American sites were enrolled in this National Institutes of Health (NIH)–funded prospective observational study (n = 139). Demographic, clinical, serological, and virological data were collected at entry and every 24 weeks for ≤ 192 weeks. Paired liver biopsies were obtained at study entry and at ≥ 3 years of follow‐up. Biopsies were assessed by a central pathology committee using the modified Ishak scoring system. Clinical outcome rate and changes in histology are reported. Among participants with follow‐up data (n = 114), median age was 49 years, 91% were male, 51% were non‐Hispanic Black, and 13% had at‐risk alcohol use, with a median infection of 20 years. At entry, 95% were on anti‐HBV cART. Median CD4 count was 562 cells/mm3 and 93% had HIV < 400 copies/mL. HBeAg was positive in 61%, and HBV DNA was below the limit of quantification (< 20 IU/mL) in 61% and < 1,000 IU/mL in 80%. Clinical events were uncommon across follow‐up: one hepatic decompensation, two HCC, no liver transplants, and one HBV‐related deaths, with a composite endpoint rate of 0.61/100 person‐years. Incident cirrhosis (n = 1), alanine aminotransferase flare (n = 2), and HBeAg loss (n = 13) rates were 0.40, 0.65, and 6.86 per 100 person‐years, respectively. No participants had HBsAg loss. Paired biopsy (n = 62; median 3.6 years apart) revealed minimal improvement in Histologic Activity Index (median [interquartile range]: 3 [2‐4] to 3 [1‐3]; P = 0.02) and no significant change in fibrosis score (1 [1‐2] to 1 [0‐3]; P = 0.58).

Conclusions
In a North American cohort of adults with HBV‐HIV on cART with virological suppression, clinical outcomes and worsening histological disease were uncommon.
Thermal imaging method to evaluate childhood obesity based on machine learning techniques
Authors: Rashmi Richa , Umapathy Snekhalatha , Krishnan Palani Thanaraj 
Published: March 2021

AbstractThe purposes of the study were (i) to determine the potential of thermal imaging to assess the difference in the thermal pattern in various body regions of studied population; (ii) to compare the performance of feature extraction, feature fusion, feature ranking and feature dimension reduction (PCA) in classification of obese and normal children using different Machine learning algorithms. About 600 thermograms were obtained from various regions such as abdomen, finger bed, forearm, neck, shank and gluteal region for the studied population. Fifteen statistical textual features were extracted from the six regional thermograms followed by implementing feature fusion with SIFT and SURF algorithm. The PCA method provides the best classification accuracy for SVM (98%) followed by Naïve Bayes and Random Forest (97%). Thus, the regional thermography and computer aided diagnostic tool with machine learning classifier could be used as a basic non‐invasive prognostic tool for the evaluation of obesity in children.
Analysis of global and Latin‐American trends in nanotoxicology with a focus on carbon nanomaterials: a scientometric approach
Authors: Geracitano Laura A , Fagan Solange B , Monserrat José M 
Published: March 2021

AbstractBACKGROUNDThe scientific trends and developments in the field of nanotoxicology were analyzed through a scientometric approach. This study aimed to describe and unravel the main topics on nanomaterials concerning their potential toxicity. It was generated four databases: two for global nanotoxicological papers (Ds1 and Ds2) and two with a Latin‐American focus (LA1 and LA2). Ds2 and LA2 databases were constructed with studies dealing with the toxic effects of carbon nanomaterials. Scientometric analyses were performed using CiteSpace software. The following items were evaluated: frequencies, burst, centrality for co‐citations of Web of Science categories, keywords, references, authors, and countries.RESULTSGlobal analysis resulted in a total of 29 798 papers for Ds1 and 3835 for Ds2. Latin‐American papers resulted in 1397 articles for LA1 and 148 for LA2. Scientometric analyses indicated a specialization of the topics covered over time, ranging from general categories (such as Chemistry) to more specialized ones (such as Genetics or Neurosciences). Nano‐silver prevailed in the nanotoxicological studies and graphene dominated in the field of carbon nanomaterials. In the last 5 years, a prominent growth has been observed in the number of studies that focus on the potential impact of nanomaterials on the environment.CONCLUSIONThe research efforts in nanotoxicology have been mainly concentrated on assays that use nano‐silver; meanwhile, in carbon nanomaterials, the focus has been concentrated on toxicological tests with graphene. Overall, we stress the importance of nanotoxicology as a strategy to obtain scientific information that can aid in the environmental sustainability of nanotechnologies.
Purification and recycling of selenium in wastewater using polyacrylamide capsule containing selenate‐reducing bacterium
Authors: Naga Naofumi , Hiratani Tomoyuki , Kotake Fumiya , Otsuka Osamu , Yamashita Mitsuo 
Published: March 2021

AbstractBACKGROUNDRare metals are often used in high‐technology industries and, as a result, their demand has increased in present years. The shortage of some kinds the metals is concerning for the industries in question. The development of technologies to recover metals from wastewater and wastes is necessary for securing a stable supply of these metals. The present physicochemical treatments cannot easily recover metals from wastewater and wastes when they are present in low concentrations. In contrast, biochemical treatments, such as biomineralization, are expected to recover these metals efficiently. Selenium (Se) is one of the indispensable metals used in various products, such as electronics, glass manufacturing, pigments, metallurgical additives, and so on. A selenium reducing bacterium, Pseudomonas stutzeri NT‐I, was isolated previously. This bacterium reduces soluble seleno‐oxyanions to solid elemental selenium efficiently via a bioprocess called biomineralization.RESULTSA polyacrylamide capsule (PAC) containing selenate‐reducing bacterium, Pseudomonas stutzeri NT‐I, was prepared by double‐capsulation to recover selenium from wastewater simply and efficiently. The double‐capsulation is inclusion of alginate beads (AB) containing NT‐I by polyacrylamide composed of N‐isopropylacrylamide (NIPAM), N‐(2‐hydroxyethyl)acrylamide (HEAA), N‐[3‐(dimethylamino)propyl]acrylamide (DMAPAA), or (3‐acrylamidopropyl)trimethylammonium chloride (APTAC) cross linked by N,N′‐methylenebisacrylamide (MBAA).CONCLUSIONThe PACs had good stability in NaCl aq. and basic water in comparison with non‐capsulated AB. HEAA‐PAC and APTAC‐PAC showed relatively high water‐retaining capacity under the wet conditions. Selenate reduction tests were conducted in selenate, Se(VI) aq. at 37 °C in the presence of PACs, and APTAC‐PAC was effective in reducing and capturing Se. © 2021 Society of Chemical Industry (SCI).
Report of a case with ferredoxin reductase (FDXR) gene variants in a Chinese boy exhibiting hearing loss, visual impairment, and motor retardation
Authors: Yang Chengqing , Zhang Ying , Li Jiuwei , Song Zhenfeng , Yi Zhi , Li Fei , Xue Jiao , Zhang Wei , Wang Chunli 
Published: March 2021

AbstractFerredoxin reductase (FDXR), located in 17q25.1, encodes for a mitochondrial NADPH: adrenodoxin oxidoreductase or ferredoxin reductase, the sole human ferredoxin reductase involved in the biosynthesis of iron‐sulfur (Fe‐S) clusters and heme formation. Iron‐sulfur (Fe‐S) clusters are involved in enzymatic catalysis, gene expression, and DNA replication and repair. Variants in FDXR lead to sensorial neuropathies, damage optic, and auditory neurons. Here, we report a Chinese boy with hearing loss, visual impairment, and motor retardation, with two novel compound heterozygous variants in FDXR (NM_004110), namely, c.250C > T (p.P84S) and c.634G > C (p.D212H), identified by whole‐exome sequencing. Compared with the reported cases, except hearing loss and visual impairment, the clinical manifestations of this boy were more serious, who also had motor retardation and died in infancy after infection. The present study expands our knowledge of FDXR variants and related phenotypes, and provides new information on the genetic defects associated with this disease for clinical diagnosis.
The “Two‐Step” approach for classifying the severity of acute pancreatitis: A retrospective study
Authors: Zhang Yun , Zhang Cheng , Yu Wen‐Qiao , Wang Zhi‐En , Zhang Jian , Liang Ting‐Bo 
Published: March 2021

AbstractBackgroundThe Revised Atlanta Classification (RAC) and Determinant‐Based Classification (DBC) are currently two widely adopted systems for evaluating the severity of acute pancreatitis (AP). This study aimed to overcome the inaccuracies and limitations that existed in them.MethodsWe retrospectively analyzed 298 patients with AP. The “Two‐Step” approach was divided into an early organ failure (OF) assessment: (I) none, (II) transient, (III) single persistent, and (IV) multiple persistent; and a later local complications assessment: (A) none, (B) sterile, and (C) infectious. Patients with AP who died before the second step were classified into category X. The “Two‐Step” approach was then compared to the RAC and DBC.ResultsAs the patients’ grades increased (I to IV), organ support treatment rates, intensive care unit lengths of stay, and mortalities increased. Invasive intervention rates displayed increasing trends with local complications aggravated (A to C). Patients in category X were older and had higher Marshall scores with the highest grades of severity.ConclusionsBy combining the early OF grades and the late local complications, the “Two‐Step” approach represents an accurate classification system required for stratified studies of AP, and introduces the category X as the severest forms of AP.
Cannabis and its cannabinoids analysis by gas chromatography–mass spectrometry with Cold EI
Authors: Amirav Aviv , Neumark Benny , Margolin Eren Ksenia J. , Fialkov Alexander B. , Tal Noam 
Published: March 2021

AbstractCannabis extracts and products were analyzed by gas chromatography–mass spectrometry (GC–MS) with Cold EI for their full content including terpenes, sesquiterpenes, sesquiterpinols, fatty acids, delta 9‐tetrahydrocannabinol (THC), cannabidiol (CBD), other cannabinoids, hydrocarbons, sterols, diglycerides, triglycerides, and impurities. GC–MS with Cold EI is based on interfacing GC and MS with supersonic molecular beams (SMB) along with electron ionization of vibrationally cold sample compounds in the SMB in a fly‐through ion source (hence the name Cold EI). GC–MS with Cold EI improves all the performance aspects of GC–MS, enables the analysis of Cannabinoids with OH groups without derivatization, while providing enhanced molecular ions for improved identification, and enables internal quantitation without calibration. We found over 50 cannabinoid compounds including a new one with a Cold EI mass spectrum very similar to delta 9‐THC as well as relatively large cannabinoids with molecular weight above m/z = 400. Because the analysis was universal in full scan and not targeted, we found impurities such as bromo CBD and fluticasone propionate and could monitor the formation of oxidized CBD during decarboxylation. In addition, GC–MS with Cold EI enabled nontargeted full analysis of terpenes, sesquiterpenes, and sesquiterpinols in cannabis extracts with good internal quantitation. GC–MS with Cold EI further served with very good sensitivity for the concentration determination of delta 9‐THC in CBD‐related products. Finally, cannabis drugs such as EP‐1 used in Israel for treatment of epilepsy and for children with autism spectrum disorder (ASD) were analyzed for their full cannabinoids content for learning on the entourage effect and for drug activity optimization.
The Phase Aggregation Behavior of the Blend Materials Block Copolymer Polystyrene‐b‐Polycarbonate (PS‐b‐PC) and Homopolymer Polystyrene (PS)
Authors: Liu Weichen , Zhang Libin , Chen Rui , Wu Xin , Yang Shang , Wei Yayi 
Published: March 2021

AbstractIn this paper, the cylindrical structures phase aggregation behavior of the blend materials is explored experimentally. The phase aggregation behavior is a phenomenon in which the cylinder phase aggregates nearby, which occurs after phase separation. With mixing the polystyrene‐b‐polycarbonate with polystyrene, a cylindrical state is first obtained, and then such state is changed to a larger cylinder state. It is found that such state aggregation behavior is the function of annealing time and temperature, while the maximum temperature is less than the molten temperature. First, a cylindrical state with 11–14 nm diameter is obtained, with a 3 nm standard deviation. Then the neighboring cylinders move to aggregate together and the cylinder diameter is enlarged quickly to ≈30 nm and above, with a higher standard deviation. It is also found that the aggregation behavior is consistent over a wide temperature range from 150 to 200 °C. For the blend material used, when cylinder is formed, the free energy of the system is not stable. Then, keeping the annealing temperature constant and the annealing time increasing, the neighboring cylinders aggregate and form large‐diameter cylinders. This dynamic behavior opens a new window of self‐assembly applications by obtaining different structures through process control.
New UV‐Curable Anticorrosion Coatings from Vegetable Oils
Authors: Noè Camilla , Iannucci Leonardo , Malburet Samuel , Graillot Alain , Sangermano Marco , Grassini Sabrina 
Published: March 2021

AbstractBio‐based epoxy resins are attracting widespread interest in the field of polymer thermosets as environmentally friendly building block. In the present study, the feasibility of applying UV‐curable epoxidized vegetable oils (EVOs) as anti‐corrosion coating is investigated. Rheological characterization of EVOs is carried out, and their viscosity‐shear relationship is evaluated. The cationic UV‐curing of EVOs successfully gives rise to crosslinked materials with a wide range of thermo‐mechanical properties, evaluated by differential scanning calorimetric analysis and dynamic thermal mechanical analysis. A high epoxy‐group conversion, ranging from 93% to 99%, is always obtained. The thermal stability and surface properties of the bio‐based coatings, such as, pencil hardness, adhesion, solvent resistance, and contact angle, are analyzed. Moreover, the corrosion protection effectiveness of the coatings is characterized by potentiodynamic polarization and electrochemical impedance spectroscopy measurements. In addition, field emission scanning electron microscopy is used to assess the samples morphology after corrosion tests.
On null‐controllability of the heat equation on infinite strips and control cost estimate
Authors: Egidi Michela 
Published: March 2021

AbstractWe consider an infinite strip , , , and study the control problem of the heat equation on with Dirichlet or Neumann boundary conditions, and control set . We provide a sufficient and necessary condition for null‐controllability in any positive time , which is a geometric condition on the control set ω. This is referred to as “thickness with respect to ” and implies that the set ω cannot be concentrated in a particular region of . We compare the thickness condition with a previously known necessity condition for null‐controllability and give a control cost estimate which only shows dependence on the geometric parameters of ω and the time T.
Clinical Activity and Safety of Cediranib and Olaparib Combination in Patients with Metastatic Pancreatic Ductal Adenocarcinoma without BRCA Mutation
Authors: Kim Joseph W. , Cardin Dana B. , Vaishampayan Ulka N. , Kato Shumei , Grossman Steven R. , Glazer Peter M. , Shyr Yu , Ivy S. Percy , LoRusso Patricia M. 
Published: March 2021

Abstract

Lessons Learned

Background
Cediranib, a vascular endothelial growth factor receptor inhibitor, suppresses expression of BRCA1/2 and RAD51 inducing homologous recombination DNA repair deficiency (HRD) in several cancer cell lines and xenograft models [1]. Olaparib provides a clinical benefit in patients with metastatic pancreatic adenocarcinoma (mPDAC) with germline BRCA mutation (gBRCAmt) [2]. We hypothesized that cediranib induces HRD in the absence of gBRCAmt and synergizes with olaparib, resulting in an objective response in patients with mPDAC.

Methods
Patients with mPDAC with at least one prior systemic chemotherapy were enrolled. Patients with known gBRCAmt were excluded. Patients took cediranib 30 mg daily and olaparib 200 mg twice daily, orally. The primary endpoint was objective response (OR) rate.

Results
Nineteen patients received the study drugs. Seven patients came off treatment before the first restaging scan: six because of clinical progression and one because of an adverse event. No OR was observed. Six patients had stable disease (SD) as a best overall response. The median duration of SD was 3.1 months. The median overall survival was 3.4 months. Common treatment-related adverse events were fatigue, hypertension, and diarrhea.

Conclusion
Cediranib and olaparib combination did not result in clinically meaningful activity in patients with mPDAC without gBRCAmt.
Fetal therapy using rapamycin for a rapidly enlarging, obstructive, cervical lymphatic malformation: a case report
Authors: Livingston Joel , Alrowaily Nouf , John Philip , Campisi Paolo , Ranguis Sebastian , Van Mieghem Tim , Carcao Manuel , Ryan Greg 
Published: March 2021

Key PointsWhat's already known about this topic?

Fetal lymphatic malformations (LMs) can be detected on prenatal ultrasound and until recently, therapeutic options were limited. Recently the mammalian target of rapamycin inhibitor rapamycin has emerged as a safe, effective therapy for children with LMs and multiple studies have demonstrated improved efficacy if started early.

What does this study add?

We report the first in‐utero therapy with rapamycin for a rapidly enlarging, obstructive, fetal cervical LM. Fetal therapy with rapamycin was safe and effective in managing this severe malformation, despite rapamycin being started only in the last 6.5 weeks of pregnancy. We speculate that had rapamycin been commenced earlier, the reduction in mass size might have been even greater.