bluuebunny/crossref_metadata_2025 huggingface dataset:
The Nonlinear Optical Properties of Ferrocene-containing Metalloporphyrins
Toward the Pico-second Laser
Authors: Guo Fengqi , Wang Yue , Huang Xuewei , Qian Xiaodie , Lu Yinjie , Chen Zongwei
Published: September 2022

Background:

The nonlinear optical properties of ferrocene-containing metalloporphyrins
toward pico-second laser were studied using calculational and experimental methods, and the relationship
between their structures and nonlinear absorption properties were discussed.

Aims:

The metal ions introduced into the porphyrin rings intensively affect the nonlinear optical properties.

Methods:

The nonlinear optical properties and the relationship between the property and the structure
of the synthesized ferrocene-containing metalloporphyrins are studied using the calculational method
and the open-aperture Z-scan technology for pico-second laser.

Results:

The Z-scan results show that Co-P-Fc, Zn-P-Fc and Pd-P-Fc exhibit reverse saturable absorption
characteristics toward the laser with 532 nm wavelength and 21 ps pulse width, and the nonlinear
absorption coefficients (β) of them were 4.1, 3.2 and 1.3 cm/GW, respectively, when the incident laser
fluency at the focal point of the lens is 29 mJ/cm2. In addition, the values of β decrease with the increase
of the incident laser fluency. These results indicate that the nonlinear absorption characteristics
of Co-P-Fc, Zn-P-Fc and Pd-P-Fc are ascribed to the excited state absorption (ESA). However, Cu-PFc,
Ni-P-Fc and P-Fc show saturated absorption characteristics toward the ps laser pulse.

Conclusion:

To elucidate the intrinsic factors that influence the nonlinear optical properties, the electronic
distribution, flow of charge density during the transition from the ground state to the excited
state, and the first-order hyperpolarizability values (β) are calculated using the time-dependent density
functional theory (TD-DFT). The calculated results show that the molecular polarity and the change of
the molecular polarity before and after the transition from HOMO to LUMO, which is dominated by
the redox potentials of the introduced metal ions, are the most important factors that affect the nonlinear
optical properties of the title compounds.
Synthesis, Characterization and Biological Activity of Benzimidazoleacrylonitrile
Derivatives
Authors: Parveen Mehtab , Azeem Mohammad , Aslam Afroz , Haris Mohammad , Khan Amir , Alam Mahboob
Published: September 2022

Background:

Benzimidazoles have a wide range of synthetic applications in medicinal
chemistry and biological activities like anti-tumor/anti-proliferative activities etc. Moreover, different
heterocyclic moieties attached to the benzimidazole ring improved anticancer activities.

Methods:

All the chemicals were purchased from Aldrich Chemical Company, are of AR grade
and used as received. Microanalytical data (C, H, and N) were analyzed on a Carlo Erba model
1108 analyzer. Melting points were measured by the Kofler apparatus and were uncorrected. Spectroscopic
data were obtained using the following instruments: Fourier transform infrared spectra
(KBr discs, 4000-400 cm-1) by Shimadzu IR-408 Perkin Elmer 1800 instrument; 1H NMR and 13C
NMR spectra by JEOL Resonance Inc. Tokyo, Japan, JNM-ECZ400S/L1 using DMSO-d6 as a
solvent containing TMS as the internal standard. Chemical shifts (δ) are reported in parts per million
(ppm), and coupling constants (J) are reported in Hertz (Hz).

Results:

We chose sulfosalicylic acid as a promoter for forming benzimidazole-acrylonitrile derivatives,
which is an eco-friendly reaction, and we applied a series of synthesized compounds 3a-g
in nematicidal activity. The results indicate that the concentrations of all treatments significantly
kill M. incognita.

Conclusion:

This model reaction procedure provides a better method for preparing benzimidazoleacrylonitrile,
which is superior to other methods. This protocol simplifies handling model reactions
with mild reaction conditions, a short time period, a simple set-up, a fast reaction rate, and so on.
Quantum Mechanics Modeling of Oxetanes as Epoxide Hydrolase Substrates
Authors: Di Li , Tu Meihua , Ngo Jackson
Published: September 2022

Background:

Epoxide hydrolases comprise an important class of enzymes that have critical functions in the detoxification of xenobiotics and regulation of signaling molecules. In addition to epoxides, oxetanes have recently been identified as novel substrates of microsomal epoxide hydrolase (mEH). Oxetanes are common scaffolds used in medicinal chemistry design to improve potency and drug-like properties. Metabolism of oxetanes by mEH can result in high uncertainties in the prediction of human clearance due to extrahepatic contribution and large interindividual variability. Therefore, reducing mEH-mediated oxetane metabolism is highly desirable to minimize its contribution to clearance.

Objective:

The aim of the study is to evaluate whether quantum mechanical parameters are able to predict the hydrolytic rate of mEH-mediated oxetane metabolism in order to guide medicinal chemistry design in order to minimize mEH contribution to clearance.

Methods:

Quantum mechanics modeling was used to evaluate the hydrolytic rate of twenty-three oxetanes by mEH. All modeling studies were performed with the Maestro software package.

Results:

The results show that LUMO energy is highly correlated with the diol formation rate of oxetane hydrolysis by mEH for compounds that are structurally similar, while other quantum mechanical parameters are less predictive. The data suggest that the intrinsic reactivity determines the hydrolytic rate of oxetanes. This occurs when the orientations of the molecules in the mEH active site are similar. Predictions of mEH substrate metabolic rates using LUMO are most accurate when comparing subtle structural changes without drastic changes in MW and chemotype.

Conclusion:

The study suggests that LUMO energy can be used to rank-order oxetanes for their hydrolytic rate by mEH for structurally similar compounds. This finding enables the medicinal chemistry design to reduce mEH-mediated oxetane metabolism based on the calculated LUMO energy.
Trifluoromethylated Aryl Sulfonamides as Novel CETP Inhibitors:
Synthesis, Induced Fit Docking, Pharmacophore Mapping and Subsequent
In vitro Validation
Authors: Khalaf Reema Abu , Shaiah Hamza Al , Sabbah Dima
Published: September 2022

Background:

Cardiovascular disease is one of the leading causes of death. Atherosclerosis
causes arterial constriction or obstruction, resulting in acute cardiovascular illness. Cholesteryl ester
transfer protein (CETP) facilitates reverse cholesterol transport. It supports the transfer of cholesteryl
ester from HDL to LDL and VLDL. Inhibition of CETP by drugs limits cardiovascular disease by
decreasing LDL and increasing HDL.

Objectives:

In this study, fourteen trifluoromethyl substituted benzene sulfonamides 6a-6g and 7a-7g
were prepared.

Methods:

The synthesized molecules were characterized using 1H-NMR, 13C-NMR, IR and HR-MS.
They were in vitro tested to estimate their CETP inhibitory activity.

Results:

In vitro biological evaluation showed that compounds 7d-7f had the highest inhibitory activity
with 100% inhibition, while the inhibition observed by compounds 6a-6g, 7a-7c and 7g ranged
from 2%-72% at 10 μM concentration. It was found that the addition of a fourth aromatic ring
significantly improved the activity, which may be due to the hydrophobic nature of CETP. Also, the
presence of ortho-chloro, meta-chloro and para-methyl substituents results in high inhibitory activity.

Conclusion:

The induced fit docking studies revealed that hydrophobic interaction guided ligand/
CETP binding interaction in addition to H-bond formation with Q199, R201, and H232. Furthermore,
pharmacophore mapping demonstrated that this series satisfies the functionalities of the current
CETP inhibitors.
Computational Evidence Based Perspective on the Plausible Repositioning
of Fluoroquinolones for COVID-19 Treatment
Authors: Yadav Vikas
Published: September 2022

The coronavirus disease (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has become a serious global healthcare crisis, so there is an emergence of identifying efficacious therapeutic options. In a setting where there is an unavailability of definitive medication along with the constant eruption of vaccine-related controversies, the drug-repositioning approach seems to be an ideal step for the management of COVID-19 patients. Fluoroquinolones (FQs) are commonly prescribed antibiotics for the treatment of genitourinary tract and upper respiratory tract infections, including severe community-acquired pneumonia. Research over the years has postulated multifaceted implications of FQs in various pathological conditions. Previously, it has been reported that few, but not all FQs, possess strong antiviral activity with an unknown mechanism of action. Herein, an interesting perspective is discussed on repositioning possibilities of FQs for the SARS-CoV-2 infections based on the recent in silico evidential support. Noteworthy, FQs possess immunomodulatory and bactericidal activity which could be valuable for patients dealing with COVID-19 related complications. Conclusively, the current perspective could pave the way to initiate pre-clinical testing of FQs against several strains of SARS-CoV-2.
Insulin Resistance and Diabetes Mellitus in Patients with Systemic Lupus
Erythematosus
Authors: García-Carrasco Mario , Mendoza-Pinto Claudia , Munguía-Realpozo Pamela , Etchegaray-Morales Ivet , Vélez-Pelcastre Sandra Karina , Méndez-Martínez Socorro , Zamora-Ginez Irma , de Lara Luis Guillermo Vázquez , Gálvez-Romero José Luis , Escamilla-Márquez Marco
Published: September 2022

Systemic lupus erythematosus (SLE) is an autoimmune disease characterized
by damage to multiple systems and a higher risk of cardiovascular disease. In addition,
several studies have found that insulin resistance (IR) is more prevalent in SLE patients
than controls, increasing the risk of prediabetes, type 2 diabetes mellitus (T2DM) and
morbidity. The objective of this review was to summarize the most relevant evidence
about the relationship among IR, T2DM and SLE, including the effects of pro-inflammatory
states, acute-phase proteins, pro-inflammatory cytokines, and pharmacological SLE
treatment. A better understanding of the mechanisms involved in these comorbidities will
allow better treatment strategies.
Temperature-dependent Phase Behaviour of Blends of SSS (tristearin) and SSO (1,2-distearoyl-3-oleoyl-rac-glycerol)
Authors:   Ryerson University, Wijarnprecha Khakhanang , West Ryan ,   MONDELEZ INTERNATIONAL, Rousseau Derick ,   Ryerson University
Published: September 2022

We examined the phase behaviour of binary blends of SSO and SSS with emphasis placed on their temperature-dependent polymorphic and thermal behaviour. The binary system showed monotectic behaviour, given the dominance of SSS with up to 70 % SSO. This was based on SSO acting as a solvent, given that crystallization and melting temperatures of SSS decreased with increasing SSO content. The presence of SSO (20 – 80 %) promoted the polymorphic transition of SSS from a to β with SSS (20 – 70 %) promoting the polymorphic transition of SSO from a to β′. Based on polarized light microscopy, SSS was predominant up to 80 % SSO and generally existed as spherulites. At 90 % SSO, SSO crystals dominated and were needle-like. Finally, the presence of an SSO/SSS molecular compound (MCsso/sss) or solid solution was possibly observed during heating at 1 °C/min, with SSS at 5-10 wt% promoting its formation and stabilization. Annealing also appeared to increase the propensity of MCsso/sss and β′-SSO formation.
Cocoa Butter Crystallization and Fat Bloom Formation in the Presence of Rice Bran Wax
Authors:   Rajamangala University of Technology Suvarnabhumi, Podchong Pawitchaya , Sonwai Sopark ,   Silpakorn University, Rousseau Derick ,   Ryerson University
Published: September 2022

The crystallization, tempering and storage stability of cocoa butter (CB) and model dark chocolate containing up to 5 wt% rice bran wax (RBX) were investigated. The presence of RBX significantly accelerated the crystallization, tempering and the formation of the desirable form V crystals in CB. During temperature-cycling from 25 to 29 °C, a slowdown in the form V to VI transition in both CB and chocolate containing RBX was observed. Fat bloom formation was also greatly slowed upon addition of only 1 wt% RBX in model chocolate during two weeks of temperature-cycling. This study suggested that RBX may be considered as a viable seed material to accelerate tempering of CB and can retard the fat bloom formation in chocolate.
Physicochemical Properties of Bambangan (Mangifera Pajang) Kernel Fat and Its Stearin Mixtures with Cocoa Butter
Authors:   University Malaysia Sabah, Mamat Hasmadi , Ridhwan Norazlina ,   Universiti Malaysia Sabah
Published: September 2022

Cocoa butter (CB) is ideal for the chocolate formulation but has a shortage of supply and poor harvest quality and technology benefits. As such, the chocolate and confectionery industries are trying to find an alternative that is cheap and compatible with the distinct physicochemical properties of CB. In this study, the fractionated cocoa butter improver from the bambangan (Mangifera pajang) kernel fat (BKF) was blended with commercial cocoa butter (CB), and the physicochemical properties of the blends were investigated. Solid fat content (SFC), fatty acids composition and physicochemical properties of pure BKF, its first (S-1) and second stearin (S-2) fractions integrated with CB at varying ratios (g/100 g) were determined. B4, F4, and M4 blends containing 20% BKF or S-1 and S-2 with 80% CB showed good compatibility with the presence of 22.42–22.57% palmitic, 37.23–37.63% stearic, and 33.67–33.91% oleic acids. These blends also showed a similar pattern of SFC curves as CB, at which the SFCs of the three blends dropped to 0% after 35 °C. Moreover, the blends also exhibited comparable iodine value (36.17–36.58 g iodine/g) and slip melting point (SMP) (28.83–29.17 °C) with the commercial CB. In comparison with the hard fat (S-1 and S-2), which had high SMP and stearic acid (44.71–48.51%), the fatty acids composition of fat blends significantly (p < 0.05) decreased and resulted in low SFC values. The results obtained in this study proposed that the best blends to converge with CB were B4, F4 and M4.
Fungal Multi-enzyme Blend Promotes Improved Macronutrient Hydrolysis of Mixed Meal Substrates in the INFOGEST in vitro Simulation of Digestion
Authors:   BIO-CAT, Inc., Guice Justin , Hollins Morgan ,   BIO-CAT, Inc., Best Caroline ,   BIO-CAT, Inc., Tinker Kelly ,   BIO-CAT, Inc., Garvey Sean ,   BIO-CAT, Inc.
Published: September 2022

Fungal enzymes are often combined in dietary supplements to support digestive health. The purpose of this study was to test the effects of a mixture of 6 fungal enzymes (BC-006) on macronutrient digestion in the INFOGEST static simulation of gastrointestinal digestion in vitro. Substrates included an oral nutritional supplement (ONS), heated test meal (HTM) with grilled chicken, steamed peas, and potatoes, and a canned test meal (CTM) version. BC-006 contains fungal protease (Aspergillus oryzae), acid protease (A. niger), peptidase (A. melleus), lipase (Candida cylindracea), alpha-amylase (A. oryzae), and glucoamylase (A. niger). Three doses of BC-006 (0.5X, 1X, and 2X recommended dose) were evaluated on free amino nitrogen (FAN), glycerol, maltose, and glucose release from substrates. Following the gastric simulation, all doses of BC-006 increased FAN concentrations across all substrates, compared to control conditions with pepsin alone (p≤0.0001). HPLC analysis showed that BC-006 treatment increased the concentrations of leucine (ONS: 4.5-fold, HTM: 4.1-fold, CTM: 3.7-fold) and total essential amino acids (2.8-fold, 87%, 71%, respectively), compared to controls (p<0.05). In the intestinal phase, however, no differences in FAN concentrations were observed. BC-006 (1X) increased glycerol concentrations at least 3.3-fold higher in the gastric simulation (HTM, p=0.0446) and at least 76% higher in the intestinal simulation (HTM, p=0.0003). Glucose released increased with BC-006 dose for all substrates in the gastric and intestinal simulations (p<0.0001). Maltose release increased with BC-006 dose in the gastric simulation of ONS digestion (p<0.0001), but no differences were observed with HTM and CTM. In the intestinal simulation, maltose release increased with BC-006 dose in the gastric simulation of ONS digestion (p=0.0002), but decreased with increasing BC-006 dose in the gastric simulation with HTM (p=0.0077) and CTM (p=0.0083). Altogether, the BC-006 blend improved hydrolysis of all macronutrients in the gastric simulation, and lipid and carbohydrate hydrolysis in the intestinal simulation.
Determination of the Concentration of Commercial Cationic Surfactants in Aqueous Solutions by the Colloidal Titration Method
Authors:   FIRP Laboratory/University of Los Andes, Fernandez Jose Alejandro , Martinez Daniela ,   FIRP Laboratory, Salazar-Rodríguez Franklin ,   FIRP Laboratory, Bullon Johnny ,   FIRP Laboratory Director
Published: September 2022

Cationic Surfactant's quantification in aqueous solution is relevant in fundamental and applied research, as well as for quality control in processes in the chemical industry. Colloidal titration is a commonly used method for surface charge determination in colloidal systems such as polyelectrolytes, macromolecules and solid particles, but it can also be applied for the detection of ionic surfactants in aqueous solution. It is a simple technique, easy to implement in a laboratory and its principle is based on the stoichiometric neutralization between two species of opposite charge, potassium polyvinylsulfonate (standard PVSK) and a cationic polyelectrolyte or cationic surfactant. When the stoichiometric ratio is exceeded, the excess polyelectrolyte reacts with a cationic indicator (crystal violet) forming an electrically neutral pair that modifies the solutions' absorbance value which is determined by spectrophotometry at 587 nm. To assess the feasibility of this technique, the colloidal titration method was normalized by titration between two standard polyelectrolytes (PDADMAC and PVSK), also with analytical grade cationic surfactants (DDBAB, CTAB and HDBAC) and finally with some commercial ones (Praepagen WK, Dodigen 1828, Empygen BAC 50). High molecular weight surfactants showed stoichiometric proportionality between their concentration and the amount of tritant added for concentration between 10-100 mN. This proportionality was not observed for low molecular weight surfactants. Finally, it was also observed that for commercial surfactants the presence of 0.01 M sodium chloride does not affect the titration results.
Plant-based Adipose Tissue Developed Using Advanced Emulsion Technology: Comparison of Soy-based High Internal Phase emulsions with Beef Adipose Tissue
Authors:   University of Massachusetts Amherst, Hu Xiaoyan , McClements David ,   University of Massachusetts Amherst
Published: September 2022

Many consumers are introducing plant-based foods into their diets due to environmental, health, or animal welfare concerns that have been linked to animal-derived foods. High-quality plant-based foods like meat and fish analogs should have physicochemical attributes, such as their look, feel, and taste, that mimic those of the animal-based products they are designed to replace. In this study, we focused on the development of plant-based adipose tissue using advanced emulsion technologies. In particular, oil-in-water high internal phase emulsions (HIPEs) assembled from soybean oil (60 to 85%) and protein (2 wt%) were used to simulate the optical and rheological properties of beef adipose tissue. The overall microstructure and appearance of some of the HIPEs (75 and 80% oil) were fairly similar to those of beef adipose tissue. However, the diameter of the adipocytes was around 100 mm in the adipose tissue, whereas the diameter of the fat droplets in the HIPEs was only around 10 mm. The shear rheology of the HIPEs and adipose tissue were similar at high temperatures ( > 60 oC) but beef adipose was much harder at lower temperatures, which was attributed to fat crystallization. The hardness of the HIPEs increased with increasing fat content from 60 to 80% but then decreased when it was raised to 85% because the emulsion broke down. The plant-based adipose tissue developed in this study may be useful for application in meat or fish analogs.
Destabilization of Particle-stabilized Emulsions with Non-ionic Surfactants
Authors:   Ryerson University, El-Aooiti Malek , de Vries Auke ,   Ryerson University, Rousseau Derick ,   Ryerson University
Published: September 2022

"Particle-stabilized water-in-oil (W/O) emulsions are commonly sought for applications that demand long-term resistance against droplet coalescence. However, their remarkable stability may pose problems for uses that require controlled breakdown, such as for controlled release applications. Here, we investigated the demulsification of model W/O emulsions stabilized by glycerol monostearate (GMS) crystals solidified prior to emulsification. We studied the ability of the surfactants sorbitan monooleate (SMO), sorbitan monolaurate (SML), polyglycerol polyricinoleate (PGPR), citric acid esters of mono and diglycerides (CITREM), sorbitan trioleate (STO), and propylene glycol monolaurate (PgML) to act as demulsifiers based on their capacity to alter the wettability of interfacially-bound GMS crystals. Demulsification was promoted by the addition of SMO, SML, and CITREM, which promoted the transition of the GMS crystals from oil-wet to water-wet, thereby reducing their ability to stabilize the starting oil-continuous emulsions. Conversely, surfactants PGPR, STO, and PgML, did not sufficiently alter GMS crystal wettability to illicit demulsification. We found that two factors were necessary for a surfactant to act as a demulsifier, namely a strong affinity to the surface of GMS crystals as well as to the oil-water interface. From a compositional perspective, SMO, SML, and CITREM were effective demulsifiers because of their availability of sterically unhindered polar functional groups that can anchor to the surface of GMS crystals and polar dispersed phase droplets. Conversely, polar functional groups in PGPR and STO were sterically hindered, preventing adsorption to polar surfaces, while the propylene glycol head-group of PgML lacked polar character. Furthermore, it was shown that emulsion breakdown was concentration dependent, with surfactant concentration dominating release kinetics. Overall, this work showed that tuning the wettability of interfacially-bound GMS crystals could be used to destabilize particle-stabilized W/O emulsions, which may allow for the controllable breakdown of highly stable emulsions.
An Economic Impact Model for Estimating the Value to Health Systems of a Digital Intervention for Diabetes Primary Care: Development and Usefulness Study
Authors: Powers Brenton , Bucher Amy
Published: September 2022

Background

Diabetes is associated with significant long-term costs for both patients and health systems. Regular primary care visits aligned with American Diabetes Association guidelines could help mitigate those costs while generating near-term revenue for health systems. Digital interventions prompting primary care visits among unengaged patients could provide significant economic value back to the health system as well as individual patients, but only few economic models have been put forth to understand this value.

Objective

Our objective is to establish a data-based method to estimate the economic impact to a health system of interventions promoting primary care visits for people with diabetes who have been historically unengaged with their care. The model was built with a focus on a specific digital health intervention, Precision Nudging, but can be used to quantify the value of other interventions driving primary care usage among patients with diabetes.

Methods

We developed an economic model to estimate the financial value of a primary care visit of a patient with diabetes to the health system. This model requires segmenting patients with diabetes according to their level of blood sugar control as measured by their most recent hemoglobin A1c value to understand how frequently they should be visiting a primary care provider. The model also accounts for the payer mix among the population with diabetes, documenting the percentage of insurance coverage through a commercial plan, Medicare, or Medicaid, as these influence the reimbursement rates for the services. Then, the model takes into consideration the population base rates of comorbid conditions for patients with diabetes and the associated current procedural terminology codes to understand what a provider can bill as well as the expected inpatient revenue from a subset of patients likely to require hospitalization based on the national hospitalization rates for people with diabetes. Physician reimbursement is subtracted from the total. Finally, the model also accounts for the level of patient engagement with the intervention to ensure a realistic estimate of the impact.

Results

We present a model to prospectively estimate the economic impact of a digital health intervention to encourage patients with documented diabetes diagnoses to attend primary care visits. The model leverages both publicly available and health system data to calculate the per appointment value (revenue) to the health system. The model offers a method to understand and test the financial impact of Precision Nudging or other primary care–focused diabetes interventions inclusive of costs driven by comorbid conditions.

Conclusions

The proposed economic model can help health systems understand and evaluate the estimated economic benefits of interventions focused on primary care and prevention for patients with diabetes as well as help intervention developers determine pricing for their product.
Research on Big Data Management and Governance of Health Care (Preprint)
Authors: li ganyan , Song Qiting , lei Bingxi
Published: September 2022

UNSTRUCTURED

with the continuous progress of science and technology in China, big data, cloud computing, Internet of things and other technologies have been widely used and promoted. The emergence of health care big data provides important data support for the hospital to carry out asset protection, clinical diagnosis, chronic disease monitoring and disease analysis, further promotes the sustainable development of the hospital and provides high-quality medical services for patients. Therefore, this paper makes a comprehensive analysis on the current situation and countermeasures of health and medical big data management and governance, and strengthens the management of health and medical big data by continuously strengthening the security management of big data information, applying multi-source heterogeneous health and medical big data platform, ensuring the quality of medical data, continuously improving the application ability of big data information, and enhancing users' awareness of health and medical big data. Then, this paper also proposes to build a governance guarantee system of health care big data, which aims to build a health care big data governance system to promote the sustainable development of hospitals from the establishment of a platform, the improvement of system management, the strengthening of talent introduction and the application of new technologies.
On the Implementation of Artificial Intelligence Models in Clinical Workflows: Too Often the Missing Discipline at the Table (Preprint)
Authors: Gascon Gregg M. , Huerta Timothy R
Published: September 2022

UNSTRUCTURED

While AI is making inroads into the clinical practice of medicine, its progress is impeded by a lack of interaction between diagnostic and prognostic predictive model developers and healthcare administrators, providers and staff. While developers judge the success of such models through performance measures of discrimination and calibration, healthcare workers are concerned with clinical significance. While the research literature abounds with papers describing all manners of model development, a paucity of guidance is available on how to implement such models after prioritizing those with the greatest chance of optimizing local clinical processes and outcomes. This manuscript describes a four-factor framework to estimate the potential for the successful implementation of a predictive model in a health system to aid health system leaders, providers in planning such interventions in the clinical workflow. This framework addresses the lack of interaction between model developers and users by planning for meaningful interactions through the implementation and evaluation process. As such, it addresses a critical problem at the planning table, setting the stage for future collaboration between the parties.
Desperately Seeking the Intersectionality in Digital Health Disparities Research: Towards a Richer Theorisation of Multiple Disadvantage (Preprint)
Authors: Husain Laiba , Greenhalgh Trisha , Hughes Gemma , Finlay Teresa , Wherton Joseph
Published: September 2022

BACKGROUND

The COVID-19 pandemic has led to the rapid scale up in the use of video consultations in general practice across the UK, but the impact this has had on digital health disparities concerning certain disadvantaged groups of patients remains largely unknown.

OBJECTIVE

We set out to review the research on digital disparities in relation to ethnicity, language and age, with a view to understanding how older individuals with limited fluency in English fare when it comes to participating in video consultations. This narrative review further explores how the intersecting effects of age, socio-economic status and limited English proficiency have been conceptualised, theorised and studied empirically in relation to the provision of digital access and services between 2012-2021.

METHODS

After assessing 50 articles identified from multiple sources, 31 were excluded and 19 were analysed using these criteria: remote consultations (or virtual consultations or video consultations); barrier (or limitations or challenge or enabler or facilitator or access); digital health inequality (or digital divide or inequity/ies or inequality/ies health disparit/ies).

RESULTS

The literature search found nine commentaries and 10 peer-reviewed research papers which comprised of one systematic review, one narrative review, one retrospective audit of medical records, two quantitative surveys and five qualitative studies based on semi-structured interviews. Formal research studies on this topic in the early months of the pandemic were few, mostly small and rapidly conducted. Research in relation to video consultations to date, has been almost entirely descriptive. Our dataset included no in-depth, theoretically-informed empirical studies that were able to explain how different dimensions of disadvantage combined to impact on digital health disparities.

CONCLUSIONS

Our findings show that the available literature reports substantial digital disparities. We identified three theoretical approaches that may be mobilised to account for these digital disparities: fundamental cause theory, digital capital theory, and intersectionality theory. The current literature on digital health disparities is in need of richer theorisation to generate explanations of how different dimensions of disadvantage interact. The current lack of attention to the intersectionality of multiple disadvantages in digital health research represents both a unique opportunity and an important challenge. We call for greater use of interdisciplinary theories of health disparities and technological innovation to inform future digital health research.
Construction of cohorts of similar patients from automatic extraction of medical concepts (Preprint)
Authors: Gérardin Christel , Mageau Arthur , Mékinian Arsène , Tannier Xavier , Carrat Fabrice
Published: September 2022

BACKGROUND

Reliable and interpretable automatic extraction of clinical phenotypes from large electronic medical records databases remains a challenge, especially in a language other than English.

OBJECTIVE

We aimed to provide an automated end-to-end extraction of cohorts of similar patients from electronic health records for systemic diseases.

METHODS

Our multistep algorithm includes a named-entity recognition step, a multilabel classification using Medical Subject Headings ontology and the computation of patient similarity. A selection of cohorts of similar patients on a priori annotated phenotypes was performed. Six phenotypes were selected for their clinical significance: P1-osteoporosis, P2-nephritis in systemic erythematosus lupus, P3-interstitial lung disease in systemic sclerosis, P4-lung infection, P5-obstetric antiphospholipid syndrome, and P6-Takayasu stroke. We used a training set of 151 clinical notes and an independent validation set of 256 clinical notes, with annotated phenotypes, both extracted from the Assistance Publique-Hôpitaux de Paris data warehouse. We evaluated the precision of the 3 patients closest to the index patient for each phenotype with the precision-at-3, and the recall and average precision.

RESULTS

For P1-P4, the precision-at-3 ranged from 0.85 [0.75, 0.95] to 0.99 [0.98, 1], the recall ranged from 0.53[0.50, 0.55] to 0.83[0.81, 0.84], and the average precision ranged from 0.58 [0.54, 0.62] to 0.88 [0.85, 0.90], respectively. P5-P6 phenotypes could not be analysed due to a limited number of phenotypes.

CONCLUSIONS

Using a method close to clinical reasoning, we built a scalable and interpretable end-to-end algorithm to extract cohorts of similar patients.
The impact of home automation for adults with disability following an injury: protocol for a social return on investment study (Preprint)
Authors: Cleland Jenny , Hutchinson Claire , Williams Patricia , Manuel Kisani , Laver Kate
Published: September 2022

BACKGROUND

People with disability following a serious injury require long-term care. Long-term care is changing with the availability and advances in cost and function of technologies, such as home automation. There is a dearth of evidence relating to the impact of home automation for people with a disability and few rigorous evaluations about the costs and return on investment.

OBJECTIVE

This study seeks to describe the impact of home automation for people with disability by conducting an evaluation of the costs and outcomes for individuals, families and the wider community using a Social Return on Investment (SROI) approach.

METHODS

SROI is a form of economic evaluation that develops a theory of change to examine the relationship between inputs, outputs, and outcomes. SROI has six phases: 1) identify scope and stakeholders, 2) map outcomes, 3) evidence outcomes and give them value, 4) establish impact, 5) calculate the SROI and 6) report findings. Individuals with a disability that use home automation, and key stakeholders will be interviewed. The impact of home automation will be established with financial proxies and appropriate discounts applied to avoid overestimating the costs. The SROI ratio will be calculated, and findings reported.

RESULTS

The project was funded in November 2021 by the Lifetime Support Authority. Recruitment is underway and data collection is expected to be completed by October 2022. Final results of the study will be published in March 2023.

CONCLUSIONS

To our knowledge this study represents the first study in Australia and internationally to employ SROI to estimate the social, personal and community outcomes of home automation for people with a disability following a serious injury. This research will provide valuable information for funders, consumers, researchers, and the public to guide and inform future decision-making.
Do Infrared Thermometers Hold Promise for an Effective Early Warning System for Emerging Respiratory Infectious Diseases? (Preprint)
Authors: Li Rui , Shen Mingwang , Liu Hanting , Bai Lu , Zhang Lei
Published: September 2022

BACKGROUND

Major respiratory infectious diseases, such as influenza, SARS-CoV, and SARS-CoV-2, have caused historic global pandemics with severe disease and economic burdens. Early warning and timely intervention are key to suppress such outbreaks.

OBJECTIVE

We propose a theoretical framework for a community-based early warning (EWS) system that will proactively detect temperature abnormalities in the community based on a collective network of infrared thermometer–enabled smartphone devices.

METHODS

We developed a framework for a community-based EWS and demonstrated its operation with a schematic flowchart. We emphasize the potential feasibility of the EWS and potential obstacles.

RESULTS

Overall, the framework uses advanced artificial intelligence (AI) technology on cloud computing platforms to identify the probability of an outbreak in a timely manner. It hinges on the detection of geospatial temperature abnormalities in the community based on mass data collection, cloud-based computing and analysis, decision-making, and feedback. The EWS may be feasible for implementation considering its public acceptance, technical practicality, and value for money. However, it is important that the proposed framework work in parallel or in combination with other early warning mechanisms due to a relatively long initial model training process.

CONCLUSIONS

The framework, if implemented, may provide an important tool for important decisions for early prevention and control of respiratory diseases for health stakeholders.
Telephone-Based Intervention to Improve Family Planning Care in Pregnancies of Unknown Location: Retrospective Pre-Post Study (Preprint)
Authors: Flynn Anne Nichols , Koelper Nathanael C , Sonalkar Sarita
Published: September 2022

BACKGROUND

Patients followed for a pregnancy of unknown location are generally followed by a team of clinicians through telephone calls, and their contraceptive needs at the time of pregnancy resolution may not be addressed.

OBJECTIVE

This study aimed to assess contraceptive counseling and contraceptive uptake before and after a telephone-based intervention.

METHODS

This was a retrospective pre-post study assessing pregnancy intendedness in patients with a pregnancy of unknown location and the proportion of patients who received contraceptive counseling and a contraceptive prescription before and after the initiation of a telephone-based intervention. We reviewed medical records 1 year before and 1 year after implementation of our intervention for demographic characteristics, pregnancy intendedness, pregnancy outcome, contraceptive counseling documentation, receipt of contraception, and repeat pregnancy within 6 months. We assessed the effects of an implementation strategy to address family planning needs once pregnancy was resolved by comparing the proportions of patients who were counseled and received contraception before and after our intervention was implemented. We performed logistic regression to identify associations between covariates and the outcomes of contraceptive counseling documentation and receipt of contraception.

RESULTS

Of the 220 patients in the combined cohort, the majority were Black (161/220, 73%) and ultimately had a resolved pregnancy of unknown location (162/220, 74%), and the proportion of pregnancies documented as unintended was 60% (132/220). Before our intervention, 27 of 100 (27%) patients received contraceptive counseling, compared with 94 of 120 (78%) patients after the intervention (odds ratio [OR] 9.77, 95% CI 5.26-18.16). Before the intervention, 17 of 90 (19%) patients who did not desire repeat pregnancy received contraception, compared with 32 of 86 (37%) patients after the intervention (OR 2.54, 95% CI 1.28-5.05). Our postintervention cohort had an increased odds of receiving contraceptive counseling (OR 9.77, 95% CI 5.26-18.16) and of receiving a contraceptive prescription (OR 2.54, 95% CI 1.28-5.05) compared with our preintervention cohort.

CONCLUSIONS

We found that over half of patients with a pregnancy of unknown location have an unintended pregnancy, and standardization of care through a telephone-based intervention improves contraceptive counseling and prescribing in patients with a resolved pregnancy of unknown location. This intervention could be used at any institution that follows patients with a pregnancy of unknown location remotely to improve care.
Evaluation of Carrying Capacity and Conservation Scenarios of Wosi Watershed at Manokwari Regency, West Papua
Authors: Mahmud Mahmud , Wijaya Danang , Wahyudi Wahyudi , Kusumandari Ambar
Published: September 2022

Around 12.62% of watersheds in Indonesia are damaged and need restoration immediately to prevent floods, landslides, and other related disasters. This study aimed to evaluate the Wosi watershed and formulate conservation scenarios to improve its conditions. The data collection included hydrology (quantity, continuity, and water quality), land (critical land index, percentage of vegetation cover, and erosion index), socio-economic (population pressure, welfare level, existence, and regulations enforcement), building investment (city classification and water building value classification), and the use of space (protected areas and cultivation areas). The evaluation of carrying capacity used a scoring analysis. The scenarios formulation used the information on potential carrying capacity and conservation strategies. The results suggested that the carrying capacity of the Wosi watershed from 2016-2019 had fallen into "bad" and "very bad" categories. To improve these conditions, the government can assign the riparian areas as a government asset, build ponds and dikes in the flood-prone areas, apply small recharge pond (SRP) on the cacao plantations, and assign Wosi Rendani protected forest (HLWR) as an urban forest. The implementation of these conservation strategies will result in the improvement of (a) the carrying capacity of the Wosi watershed and (b) the status into the "good" category to support environmentally friendly development in Manokwari city.
Potential Impact of China's Circular Economy on	Jobs Creation in the Tertiary Industrial Sector
Authors: Dewi Ni Nyoman Clara Listya , Muhammad Riza Wahyu Pratama
Published: September 2022

The significant implication of circular economy in China is the creation of eco friendly industry. Basically, circular economy can create jobs through waste management. The character of waste management in this industry is divided into three sectors, namely primary, secondary and tertiary. Job creation in the three sectors has different characters. At the primary industry a circular economy can create jobs in processing in agricultural and livestock waste. At the secondary level, the circular economy provides new jobs through the manufacturing waste processing industry. At the tertiary level, the circular economy provides employment through the provision of eco friendly building or factory design services. The work opportunities and the chance to work in circular economy sector will inevitably be followed by some challenges. Thus, the aim of the research to see how the Chinese government through the implementation of circular economy is able to create new jobs. The research found that the circular economy in china not only opens up new jobs because it opens up to waste processing industry but also has the potential to create new complex jobs, bringing together upstream and downstream industries in one area (regional jobs creation). In the future, the implementation of circular economy will create significant jobs opportunities in the secondary industry.
Governance and Upgrading Product: Study of Kopi Kenangan and Starbucks
Authors: Cahayani Ica , Nugraha Imam Fadhil , Pasha M. Andi
Published: September 2022

This study was conducted to explain, first, the form of governance and upgrading between two coffee companies, namely Kopi Kenangan and Starbucks. Second, it would explain in detail the components of Starbucks governance that could be applied to Kopi Kenangan considering that Kopi Kenangan had a fairly high coffee quality but still requires development in terms of governance. This study uses the theory of governance and upgrading and the research method used is in-depth interviews and narrative review to explain and analyse the governance and upgrading of Kopi Kenangan and Starbucks. Based on the research, results showed that Starbucks Coffee had reached the world market, this was due to Starbucks governance which had undergone a commodification process. Starbucks was not only able to create a value chain in coffee-based beverages but could also reach the level of sustainability standards. Starbucks had good governance externally and internally. While Kopi Kenangan was a coffee company with distinctive coffee standards and must be able to compete with market standardization in the current era of globalization. Thus, Kopi Kenangan must be able to have governance like Starbucks which had a chain and high standards. In the context of upgrading analysis, the two coffee companies tended to have the same upgrading.
A Study of Circular Economy Awareness	in University Students: The Assessment	of Knowledge, Attitude and Behavior
Authors: Rahmatika Dewi  , Arfani Junita Widiati , Didit Herawan
Published: September 2022

This study explores the university students’ awareness of the Circular Economy (CE) through the identification of knowledge, attitudes and behaviors (KAB). A quantitative method is applied by adopting the SDG survey questionnaire of Cifuentes-Faura that was developed using the 5Rs (Reduce, Reuse, Refurbish, Repair and Recycle) of the CE concept to measure the students’ KAB towards CE. A total of 110 students studying economics-related courses from two Indonesian universities participated in the survey and the statistical program SPSS 20.0 was used for data analysis. The study found that the students’ awareness of the circular economy is higher in terms of knowledge (85.5%) than attitude (55.5%) and behavior (68.2%). In a way, the results of attitude and behavior show that students tend to buy new things instead of reusing/renting or repairing them. The female students' knowledge of CE is higher than male students, whereas their attitude and behaviour show similar results. Additionally, there is a correlation between knowledge and attitude, attitude and behavior, and knowledge and behavior, which means that the variables influence each other.
The consistency of self-reference and mother reference in social evaluation
Authors: Fan Gaixia , Zhao Jing , Zhang Keyuan , Wang Yuetan , Kang Tiejun
Published: September 2022

In social interactions an individual's perception of others' facial expressions is usually influenced by the evaluation of personality traits, especially negative evaluations. We integrated social-appraisal contexts with self- and motherreferential processing in a Chinese cultural context
to examine the effect of context, including different potencies and reference types, on the individual's emotional perceptual processes of others' facial expressions. We found that neutral faces presented in positive/negative self-referential and motherreferential contexts were perceived as
more positive/more negative than were neutral faces presented in other-referential contexts. Event-related potential (ERP) data showed that self-referential and mother-referential negative contexts induced more pronounced early posterior negativity and late positive potential components than
did other-referential contexts. However, these same contexts did not significantly affect the results of the positive ERP component that occurs approximately 100 ms after stimulus presentation (P1) and the negative deflection in wave amplitude that occurs around 170 ms after the presentation
of a face (N170). These results suggest that social-behavioral appraisals related to self and mother can influence the individual's perception of an appraiser's facial emotions even when there is no personality trait appraisal.