bluuebunny/crossref_metadata_2025_split huggingface dataset:
Approaches to modelling the shape of nanocrystals
Authors: Boukouvala Christina , Daniel Joshua , Ringe Emilie 
Published: September 2021

AbstractUnlike in the bulk, at the nanoscale shape dictates properties. The imperative to understand and predict nanocrystal shape led to the development, over several decades, of a large number of mathematical models and, later, their software implementations. In this review, the various mathematical approaches used to model crystal shapes are first overviewed, from the century-old Wulff construction to the year-old (2020) approach to describe supported twinned nanocrystals, together with a discussion and disambiguation of the terminology. Then, the multitude of published software implementations of these Wulff-based shape models are described in detail, describing their technical aspects, advantages and limitations. Finally, a discussion of the scientific applications of shape models to either predict shape or use shape to deduce thermodynamic and/or kinetic parameters is offered, followed by a conclusion. This review provides a guide for scientists looking to model crystal shape in a field where ever-increasingly complex crystal shapes and compositions are required to fulfil the exciting promises of nanotechnology.
Validation of a novel system to assess end-expiratory lung volume and alveolar recruitment in an ARDS model
Authors: Bitker Laurent , Carvalho Nadja Cristinne , Reidt Sascha , Schranz Christoph , Novotni Dominik , Orkisz Maciej , Davila Serrano Eduardo , Revelly Jean-Pierre , Richard Jean-Christophe 
Published: September 2021

Abstract
Background
Personalizing mechanical ventilation requires the development of reliable bedside monitoring techniques. The multiple-breaths nitrogen washin–washout (MBNW) technique is currently available to measure end-expiratory lung volume (EELVMBNW), but the precision of the technique may be poor, with percentage errors ranging from 28 to 57%. The primary aim of the study was to evaluate the reliability of a novel MBNW bedside system using fast mainstream sensors to assess EELV in an experimental acute respiratory distress syndrome (ARDS) model, using computed tomography (CT) as the gold standard. The secondary aims of the study were: (1) to evaluate trending ability of the novel system to assess EELV; (2) to evaluate the reliability of estimated alveolar recruitment induced by positive end-expiratory pressure (PEEP) changes computed from EELVMBNW, using CT as the gold standard.

Results
Seven pigs were studied in 6 experimental conditions: at baseline, after experimental ARDS and during a decremental PEEP trial at PEEP 16, 12, 6 and 2 cmH2O. EELV was computed at each PEEP step by both the MBNW technique (EELVMBNW) and CT (EELVCT). Repeatability was assessed by performing replicate measurements. Alveolar recruitment between two consecutive PEEP levels after lung injury was measured with CT (VrecCT), and computed from EELV measurements (VrecMBNW) as ΔEELV minus the product of ΔPEEP by static compliance.
EELVMBNW and EELVCT were significantly correlated (R2 = 0.97). An acceptable non-constant bias between methods was identified, slightly decreasing toward more negative values as EELV increased. The conversion equation between EELVMBNW and EELVCT was: EELVMBNW = 0.92 × EELVCT + 36. The 95% prediction interval of the bias amounted to ± 86 mL and the percentage error between both methods amounted to 13.7%.
The median least significant change between repeated measurements amounted to 8% [CI95%: 4–10%]. EELVMBNW adequately tracked EELVCT changes over time (concordance rate amounting to 100% [CI95%: 87%–100%] and angular bias amounting to − 2° ± 10°).
VrecMBNW and VrecCT were significantly correlated (R2 = 0.92). A non-constant bias between methods was identified, slightly increasing toward more positive values as Vrec increased.

Conclusions
We report a new bedside MBNW technique that reliably assesses EELV in an experimental ARDS model with high precision and excellent trending ability.
Prospective clinical implementation of optional implant treatment into pregraduate dental education—mini implants for retention and support of mandibular overdentures
Authors: Kämmerer Peer W. , Wolf Jens M. , Buttchereit Ingo , Frerich Bernhard , Ottl Peter 
Published: September 2021

Abstract
Background
The primary aim of the study was to evaluate mini implant (MDI) survival, prosthodontic maintenance, and patient-reported outcome measures after conducting an optional pregraduate academic course on patients with mandibular edentulism including fabrication of overdentures and MDI planning and placement as well as chair-side incorporation of the respective restauration. In a prospective clinical study, 20 patients received 80 MDIs that were restored with mandibular overdentures. All treatment steps including placement of 40 MDIs were conducted by undergraduate students under strict guidance of a consultant. Next to students’ perceptions after participation, survival of MDIs, and prosthodontic maintenance, patients’ perceptions as well as peri-implant parameters were assessed after 4 weeks and 3 and 12 months.

Results
Three MDIs fractured (two during insertion and one after 3 months; total survival 96.25%). Two overdentures fractured and a total of 23 cases of minor prosthodontic maintenance were required. Over time, patients’ satisfaction significantly increased. Besides, questionnaires showed a high rate of students’ positive perception and high self-confidence to include MDI therapy into own practice.

Conclusions
The results are in accordance to those reported by postgraduate dentists. In accordance, therapy with MDI-retained mandibular overdentures seems to be feasible and successful at pregraduate level if the students receive guidance.
Bone regeneration of demineralized dentin matrix with platelet-rich fibrin and recombinant human bone morphogenetic protein-2 on the bone defects in rabbit calvaria
Authors: Kim Beom-Jin , Kim Seok-Kon , Lee Jae-Hoon 
Published: September 2021

Abstract
Background
This study was to evaluate the bone formation ability of demineralized dentin matrix (DDM) combined with platelet-rich fibrinogen (PRF) and DDM combined with recombinant human bone morphogenetic protein-2 (rhBMP-2) to improve the osteoinductive ability of DDM.

Methods
After four bone defects with a diameter of 8mm were created in the calvarium of each rabbit, DDM was grafted into the first defect (experimental groups 1), a combination of DDM and PRF was grafted into the second defect (experimental groups 2), and DDM with absorbed rhBMP-2 was grafted into the third defect (experimental groups 3). The fourth defect was used as the control group. Twelve healthy male rabbits (New Zealand, white rabbits) weighing around 3.0–4.0 kg were used. Among 12 rabbits, 3 rabbits were sacrificed immediately after surgery and at 2, 4, and 8 weeks after surgery, respectively. Histopathologic analysis and histomorphometric analysis were conducted to evaluate bone formation in each group.

Results
The PRF/DDM group did not show a significantly higher degree of new bone formation in calvarial bone defects than the DDM group at 2, 4, and 8 weeks postoperatively in histopathological findings and histomorphometric results. On the other side, the rhBMP-2/DDM group showed higher degrees of new bone formation and calcification, and the lamellae of bone matrix, which are observed in mature bone tissue, were more distinctly visible in the rhBMP-2/DDM group. Moreover, the rhBMP-2/DDM group showed a significantly higher amount of new bone formation, compared to the DDM group at 4 and 8 weeks postoperatively (P<0.05) in histomorphometric results.

Conclusion
The DDM has great potential as a carrier for the maintenance and sustained release of rhBMP-2, which has been recently receiving wide attention as a type of signaling molecules to promote bone formation.
Right ventricular perforation, pneumothorax, and a pneumatocele by a pacemaker lead: a case report
Authors: Iwata Shihoko , Hirose Ayana , Furui Ikue , Matsumoto Takako , Ozaki Makoto , Nagasaka Yasuko 
Published: September 2021

Abstract
Background
Perforation of the right ventricle by a pacemaker lead is a rare and potentially life-threatening complication. We present a patient who developed right ventricular perforation, pneumothorax, and a cyst and underwent partial lung resection.

Case presentation
A 94-year-old woman was diagnosed with sick sinus syndrome and underwent a dual-chamber permanent pacemaker implantation. The next day, pacing failed and chest radiography showed that the right ventricular lead was outside the cardiac silhouette. Computed tomography revealed that the lead had perforated the right ventricular apex, causing a left-sided pneumothorax and a cystic lesion at the site of pulmonary injury by the pacemaker lead. The patient underwent lung resection and a right ventricular lead extraction. Pathological analysis revealed the cystic lesion to be an acute pneumatocele.

Conclusions
Pneumothorax and pneumatocele associated with right ventricular pacemaker lead perforation is extremely rare. In our case, a radical surgical intervention provided an excellent outcome.
Emergence of cutaneous leishmaniasis in Nepal
Authors: Pandey Kishor , Bastola Anup , Haiyan Gong , Pyakurel Uttam Raj , Pandey Basu Dev , Dumre Shyam Prakash 
Published: September 2021

Abstract
Background
Cutaneous leishmaniasis (CL) is endemic in 70 countries worldwide. Nepal is considered non-endemic for CL and hence the control program is targeted to visceral leishmaniasis (VL) only. Here, we report the emergence of CL cases in different parts of Nepal.

Methods
We analyzed the CL and VL cases reported to Epidemiology and Diseases Control Division (EDCD), Ministry of Health and Population, Nepal through District Health Information System 2 (DHIS-2) and Early Warning and Reporting System (EWRS) during the past 4 years (2016–2019). Any laboratory-confirmed case was included in the study. Demographic and clinical details of each patient were transcribed into Excel sheets, verified with the case report forms and analyzed.

Results
VL has been reported in Nepal since 1980, but CL was reported very recently. From 2016 to 2019, 42 CL cases were reported from 26 different hospitals to EDCD which had been diagnosed on the basis of clinical presentation, and laboratory findings (demonstration of amastigotes in Giemsa-stained smears and rK39 test results). Majority of the patients (31.0%, 13/42) visited to the hospital within 1–6 months of onset of lesions. Facial region (38.1%, 16/42) was the common place where lesions were found ompared to other exposed parts of the body. CL was successfully treated with miltefosine for 28 days. The majority of CL patients did not have history of travel outside the endemic areas and there was no report of sandfly from these areas.

Conclusion
These evidences highlight that the Government of Nepal need to pay more efforts on CL and include it in differential diagnosis by clinicians, and plan for an active surveillance when the country is targeting leishmaniasis elimination by the year 2025 with the decreasing number of VL cases.
The Norwegian PROMIS-29: psychometric validation in the general population for Norway
Authors: Garratt Andrew M. , Coste Joël , Rouquette Alexandra , Valderas José M. 
Published: September 2021

Abstract
Background
The Patient Reported Outcome Measurement Information System profile instruments include “high information” items drawn from large item banks following the application of modern psychometric criteria. The shortest adult profile, PROMIS-29, looks set to replace existing short-form instruments in research and clinical practice. The objective of this study was to undertake the first psychometric evaluation of the Norwegian PROMIS-29, following a postal survey of a random sample of 12,790 Norwegians identified through the National Registry of the Norwegian Tax Administration. Confirmatory factor analysis was used to assess structural validity. Fit to the Rasch partial credit model and differential item functioning (DIF) were assessed in relation to age, gender, and education. PROMIS-29 scores were compared to those for the EQ-5D-5L and the Self-assessed Comorbidity Questionnaire (SCQ), for purposes of assessing validity based on a priori hypotheses.

Results
There were 3200 (25.9%) respondents with a mean age (SD) of 51 (20.7, range 18 to 97 years) and 55% were female. The PROMIS-29 showed satisfactory structural validity and acceptable fit to Rasch model including unidimensionality, and measurement invariance across age and education levels. One pain interference item had uniform DIF for gender but splitting gave satisfactory fit. Domain reliability estimates ranged from 0.85 to 0.95. Correlations between PROMIS-29 domain, SCQ and EQ-5D scores were largely as expected, the largest being for scores assessing very similar aspects of health.

Conclusions
The Norwegian version of the PROMIS-29 is a reliable and valid generic self-reported measure of health in the Norwegian general population. The instrument is recommended for further application, but the analysis should be replicated and responsiveness to change assessed in future studies before it can be recommended for clinical and health services evaluation in Norway.
Correlation of self-compassion and spiritual well-being with drug craving in people with substance use disorders
Authors: Shahin Mahmoud Abdel Hameed , Hamed Shaimaa Abdelbaset , Taha Samah Mohamed 
Published: September 2021

Abstract
Background
Globally, drug abuse is a serious and exacerbating phenomenon, not only in terms of its prevalence and its impact on individuals, families, professional and social aspects but also because of its economic and medical repercussions. Cravings, the main feature of addiction, are the drivers of continued drug abuse and a return to addiction after recovery. This research aimed to explore the relationship between self-compassion and spiritual well-being with drug cravings. This research used a descriptive correlational study design. The study sample consisted of all accessible addiction patients who had visited the outpatient clinics or were admitted to the Addiction Unit of the Psychiatry Department at Mansoura University Hospital during a 3-month period from October to December 2020. Patients were asked to respond to questionnaires assessing self-compassion, spiritual well-being, and drug craving.

Results
The results showed that the majority of the participants had a moderate level of self-compassion and spiritual well-being. However, drug cravings were negatively related to both self-compassion and spiritual well-being.

Conclusions
People with drug addiction consistently need programs to increase their self-compassion and spiritual well-being to overcome the intensity of cravings. Improving feelings of self-compassion and spiritual well-being has a positive effect in reducing craving for substance abuse among drug-addict patients.
The challenges of modern computing and new opportunities for optics
Authors: Li Chong , Zhang Xiang , Li Jingwei , Fang Tao , Dong Xiaowen 
Published: September 2021

AbstractIn recent years, the explosive development of artificial intelligence implementing by artificial neural networks (ANNs) creates inconceivable demands for computing hardware. However, conventional computing hardware based on electronic transistor and von Neumann architecture cannot satisfy such an inconceivable demand due to the unsustainability of Moore’s Law and the failure of Dennard’s scaling rules. Fortunately, analog optical computing offers an alternative way to release unprecedented computational capability to accelerate varies computing drained tasks. In this article, the challenges of the modern computing technologies and potential solutions are briefly explained in Chapter 1. In Chapter 2, the latest research progresses of analog optical computing are separated into three directions: vector/matrix manipulation, reservoir computing and photonic Ising machine. Each direction has been explicitly summarized and discussed. The last chapter explains the prospects and the new challenges of analog optical computing.
The effect of isolated Bacillus ureolytic bacteria in improving the bio-healing of concrete cracks
Authors: Mokhtar Gehad , Ahmed Ahmed Abd-El-Azim , Reyad Amany M. 
Published: September 2021

Abstract
Background
Reinforcement corrosion and the concrete strength reduction are critical problems that resulted from crack creation in concrete. Very expensive and hazardous technologies based on chemical materials have been provided for repairing the cracks. Recently, crack repair using bio-catalysis precipitating bacteria has been developed as a viable and ecofriendly alternative technique. The main target of this study was to select and identify bacterial isolates with high urease activity to use in filling the cracks by the precipitation of CaCO3.

Results
Two endospore-forming and alkali-resistant ureolytic bacteria were combined with concrete to tolerate the mechanical stresses generated by mixing. The two isolates designated as (B1 and B2) were selected and identified as Bacillus wiedmannii strain FSL W8-0169 and Bacillus paramycoides strain MCCC 1A04098, respectively, using 16SrDNA gene sequencing. Both bacterial species completely heal cracks in fully destructed concrete and significant enhancement in compressive strength was illustrated. The calcite filling of cracks and CaCO3 crystals that were screened using a scanning electron microscope may explain the crack healing and the enhancement in concrete strength.

Conclusions
Bacillus wiedmannii strain FSL W8-0169 and Bacillus paramycoides strain MCCC 1A04098 can be inserted with the concrete to improve the compressive strength and the self-healing of cracks. The two ureolytic bacterial strains can be used to protect water buildings from exposure to frequent cracks.
Piperidine nucleus in the field of drug discovery
Authors: Abdelshaheed Mennatallah Mahmoud , Fawzy Iten Mamdouh , El-Subbagh Hussein Ibrahim , Youssef Khairia Mohamed 
Published: September 2021

Abstract
Background
Piperidine is an essential heterocyclic system and a pivotal cornerstone in the production of drugs. Piperidine byproducts showed several important pharmacophoric features and are being utilized in different therapeutic applications.

Main text
Piperidine derivatives are being utilized in different ways as anticancer, antiviral, antimalarial, antimicrobial, antifungal, antihypertension, analgesic, anti-inflammatory, anti-Alzheimer, antipsychotic and/or anticoagulant agents.

Conclusions
This review article sheds a light on the most recent studies proving the importance of piperidine nucleus in the field of drug discovery.
A multilevel dataset of microplastic abundance in the world’s upper ocean and the Laurentian Great Lakes
Authors: Isobe Atsuhiko , Azuma Takafumi , Cordova Muhammad Reza , Cózar Andrés , Galgani Francois , Hagita Ryuichi , Kanhai La Daana , Imai Keiri , Iwasaki Shinsuke , Kako Shin’ichro , Kozlovskii Nikolai , Lusher Amy L. , Mason Sherri A. , Michida Yutaka , Mituhasi Takahisa , Morii Yasuhiro , Mukai Tohru , Popova Anna , Shimizu Kenichi , Tokai Tadashi , Uchida Keiichi , Yagi Mitsuharu , Zhang Weiwei 
Published: September 2021

AbstractA total of 8218 pelagic microplastic samples from the world’s oceans were synthesized to create a dataset composed of raw, calibrated, processed, and gridded data which are made available to the public. The raw microplastic abundance data were obtained by different research projects using surface net tows or continuous seawater intake. Fibrous microplastics were removed from the calibrated dataset. Microplastic abundance which fluctuates due to vertical mixing under different oceanic conditions was standardized. An optimum interpolation method was used to create the gridded data; in total, there were 24.4 trillion pieces (8.2 × 104 ~ 57.8 × 104tons) of microplastics in the world’s upper oceans.
Distinct Lipidomic Signatures in People Living With HIV: Combined Analysis of ACTG 5260s and MACS/WIHS
Authors: Jao Jennifer , Balmert Lauren C , Sun Shan , McComsey Grace A , Brown Todd T , Tien Phyllis C , Currier Judith S , Stein James H , Qiu Yunping , LeRoith Derek , Kurland Irwin J 
Published: September 2021

Abstract

Context
Disentangling contributions of HIV from antiretroviral therapy (ART) and understanding the effects of different ART on metabolic complications in persons living with HIV (PLHIV) has been challenging.

Objective
We assessed the effect of untreated HIV infection as well as different antiretroviral therapy (ART) on the metabolome/lipidome.

Methods
Widely targeted plasma metabolomic and lipidomic profiling was performed on HIV-seronegative individuals and people living with HIV (PLHIV) before and after initiating ART (tenofovir/emtricitabine plus atazanavir/ritonavir [ATV/r] or darunavir/ritonavir [DRV/r] or raltegravir [RAL]). Orthogonal partial least squares discriminant analysis was used to assess metabolites/lipid subspecies that discriminated between groups. Graphical lasso estimated group-specific metabolite/lipid subspecies networks associated with the Homeostatic Model Assessment of Insulin Resistance (HOMA-IR). Correlations between inflammatory markers and metabolites/lipid subspecies were visualized using heat maps.

Results
Of 435 participants, 218 were PLHIV. Compared to HIV-seronegative individuals, ART-naive PLHIV exhibited higher levels of saturated triacylglycerols/triglycerides (TAGs) and 3-hydroxy-kynurenine, lower levels of unsaturated TAGs and N-acetyl-tryptophan, and a sparser and less heterogeneous network of metabolites/lipid subspecies associated with HOMA-IR. PLHIV on RAL vs ATV/r or DRV/r had lower saturated and unsaturated TAGs. Positive correlations were found between medium-long chain acylcarnitines (C14-C6 ACs), palmitate, and HOMA-IR for RAL but not ATV/r or DRV/r. Stronger correlations were seen for TAGs with interleukin 6 and high-sensitivity C-reactive protein after RAL vs ATV/r or DRV/r initiation; these correlations were absent in ART-naive PLHIV.

Conclusion
Alterations in the metabolome/lipidome suggest increased lipogenesis for ART-naive PLHIV vs HIV-seronegative individuals, increased TAG turnover for RAL vs ATV/r or DRV/r, and increased inflammation associated with this altered metabolome/lipidome after initiating ART. Future studies are needed to understand cardiometabolic consequences of lipogenesis and inflammation in PLHIV.
Current approaches to fate mapping and lineage tracing using image data
Authors: Wolf Steffen , Wan Yinan , McDole Katie 
Published: September 2021

ABSTRACT
Visualizing, tracking and reconstructing cell lineages in developing embryos has been an ongoing effort for well over a century. Recent advances in light microscopy, labelling strategies and computational methods to analyse complex image datasets have enabled detailed investigations into the fates of cells. Combined with powerful new advances in genomics and single-cell transcriptomics, the field of developmental biology is able to describe the formation of the embryo like never before. In this Review, we discuss some of the different strategies and applications to lineage tracing in live-imaging data and outline software methodologies that can be applied to various cell-tracking challenges.