A High-Performance Cr2O3/CaCO3 Nanocomposite Catalyst for Rapid Hydrogen Generation from NaBH4.

This study aims to prepare new nanocomposites consisting of Cr2O3/CaCO3 as a catalyst for improved hydrogen production from NaBH4 methanolysis. The new nanocomposite possesses nanoparticles with the compositional formula Cr2-xCaxO3 (x = 0, 0.3, and 0.6). These samples were prepared using the sol-gel method, which comprises gelatin fuel. The structure of the new composites was studied using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, environmental scanning electron microscopy (ESEM), and X-ray spectroscopy (XPS). The XRD data showed the rhombohedral crystallinity of the studied samples, and the average crystal size was 25 nm. The FTIR measurements represented the absorption bands of Cr2O3 and CaO. The ESEM micrographs of the Cr2O3 showed the spherical shape of the Cr2O3 nanoparticles. The XPS measurements proved the desired oxidation states of the Cr2-xCaxO3 nanoparticles. The optical band gap of Cr2O3 is 3.0 eV, and calcium doping causes a reduction to 2.5 and 1.3 eV at 15.0 and 30.0% doping ratios. The methanolysis of NaBH4 involved accelerated H2 production when using Cr2-xCaxO3 as a catalyst. Furthermore, the Cr1.7Ca0.3O3 catalyst had the highest hydrogen generation rate, with a value of 12,750 mL/g/min.

Synthesis of Sulfur@g-C3N4 and CuS@g-C3N4 Catalysts for Hydrogen Production from Sodium Borohydride.

In this work, the S@g-C3N4 and CuS@g-C3N4 catalysts were prepared via the polycondensation process. The structural properties of these samples were completed on XRD, FTIR and ESEM techniques. The XRD pattern of S@g-C3N4 presents a sharp peak at 27.2° and a weak peak at 13.01° and the reflections of CuS belong to the hexagonal phase. The interplanar distance decreased from 0.328 to 0.319 nm that facilitate charge carrier separation and promoting H2 generation. FTIR data revealed the structural change according to absorption bands of g-C3N4. ESEM images of S@g-C3N4 exhibited the described layered sheet structure for g-C3N4 materials and CuS@g-C3N4 demonstrated that the sheet materials were fragmented throughout the growth process. The data of BET revealed a higher surface area (55 m2/g) for the CuS-g-C3N4 nanosheet. The UV-vis absorption spectrum of S@g-C3N4 showed a strong peak at 322 nm, which weakened after the growth of CuS at g-C3N4. The PL emission data showed a peak at 441 nm, which correlated with electron-hole pair recombination. The data of hydrogen evolution showed improved performance for the CuS@g-C3N4 catalyst (5227 mL/g·min). Moreover, the activation energy was determined for S@g-C3N4 and CuS@g-C3N4, which showed a lowering from 47.33 ± 0.02 to 41.15 ± 0.02 KJ/mol.

Preparation and Optical Properties of PVDF-CaFe2O4 Polymer Nanocomposite Films.

In this work, a synthesis technique for highly homogeneous PVDF-CaFe2O4 polymer films direct from solution was developed. The structural characterizations were conducted using XRD, FTIR, and ESEM experimental techniques. The XRD characteristic peaks of CaFe2O4 nanoparticles revealed a polycrystalline structure. The average crystallite size for CaFe2O4 was calculated to be 17.0 nm. ESEM micrographs of PVDF nanocomposites containing 0.0, 0.25, 0.75, and 1.0 wt% of CaFe2O4 showed smooth surface topography. The direct Edir and indirect Eind band gap energies for the PVDF-CaFe2O4 nanocomposites were decreased with the additions of 0.0-1.0 wt% CaFe2O4. In addition, the refractive index (n0) increased from 3.38 to 10.36, and energy gaps (Eg) decreased from 5.50 to 4.95 eV. The nonlinear refractive index (n2) for the PVDF-CaFe2O4 nanocomposites was improved with the addition of CaFe2O4 nanoparticles, exceeding those reported in the literature for PVC, PVA, and PMMA nanocomposites. Therefore, the PVDF-CaFe2O4 nanocomposites are expected to take the lead in optoelectronic applications because of their unusual optical properties.

Mixed storm in SARS-CoV-2 infection: A narrative review and new term in the Covid-19 era.

Coronavirus disease 2019 (Covid-19) is caused by a novel severe acute respiratory syndrome coronavirus virus type 2 (SARS-CoV-2) leading to the global pandemic worldwide. Systemic complications in Covid-19 are mainly related to the direct SARS-CoV-2 cytopathic effects, associated hyperinflammation, hypercytokinemia, and the development of cytokine storm (CS). As well, Covid-19 complications are developed due to the propagation of oxidative and thrombotic events which may progress to a severe state called oxidative storm and thrombotic storm (TS), respectively. In addition, inflammatory and lipid storms are also developed in Covid-19 due to the activation of inflammatory cells and the release of bioactive lipids correspondingly. Therefore, the present narrative review aimed to elucidate the interrelated relationship between different storm types in Covid-19 and the development of the mixed storm (MS). In conclusion, SARS-CoV-2 infection induces various storm types including CS, inflammatory storm, lipid storm, TS and oxidative storm. These storms are not developing alone since there is a close relationship between them. Therefore, the MS seems to be more appropriate to be related to severe Covid-19 than CS, since it develops in Covid-19 due to the intricate interface between reactive oxygen species, proinflammatory cytokines, complement activation, coagulation disorders, and activated inflammatory signaling pathway.

MoO3/S@g-C3N4 Nanocomposite Structures: Synthesis, Characterization, and Hydrogen Catalytic Performance.

Hydrogen production as a source of clean energy is high in demand nowadays to avoid environmental issues originating from the use of conventional energy sources i.e., fossil fuels. In this work and for the first time, MoO3/S@g-C3N4 nanocomposite is functionalized for hydrogen production. Sulfur@graphitic carbon nitride (S@g-C3N4)-based catalysis is prepared via thermal condensation of thiourea. The MoO3, S@g-C3N4, and MoO3/S@g-C3N4 nanocomposites were characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Field Emission Scanning Electron Microscope (FESEM), STEM, and spectrophotometer. The lattice constant (a = 3.96, b = 13.92 Å) and the volume (203.4 Å3) of MoO3/10%S@g-C3N4 were found to be the highest compared with MoO3, MoO3/20-%S@g-C3N4, and MoO3/30%S@g-C3N4, and that led to highest band gap energy of 4.14 eV. The nanocomposite sample MoO3/10%S@g-C3N4 showed a higher surface area (22 m2/g) and large pore volume (0.11 cm3/g). The average nanocrystal size and microstrain for MoO3/10%S@g-C3N4 were found to be 23 nm and -0.042, respectively. The highest hydrogen production from NaBH4 hydrolysis ~22,340 mL/g·min was obtained from MoO3/10%S@g-C3N4 nanocomposites, while 18,421 mL/g·min was obtained from pure MoO3. Hydrogen production was increased when increasing the masses of MoO3/10%S@g-C3N4.

In Situ Polycondensation Synthesis of NiS-g-C3N4 Nanocomposites for Catalytic Hydrogen Generation from NaBH4.

The nanocomposites of S@g-C3N4 and NiS-g-C3N4 were synthesized for catalytic hydrogen production from the methanolysis of sodium borohydride (NaBH4). Several experimental methods were applied to characterize these nanocomposites such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and environmental scanning electron microscopy (ESEM). The calculation of NiS crystallites revealed an average size of 8.0 nm. The ESEM and TEM images of S@g-C3N4 showed a 2D sheet structure and NiS-g-C3N4 nanocomposites showed the sheet materials that were broken up during the growth process, revealing more edge sites. The surface areas were 40, 50, 62, and 90 m2/g for S@g-C3N4, 0.5 wt.% NiS, 1.0 wt.% NiS, and 1.5 wt.% NiS, respectively. The pore volume of S@g-C3N4 was 0.18 cm3, which was reduced to 0.11 cm3 in 1.5 wt.% NiS owing to the incorporation of NiS particles into the nanosheet. We found that the in situ polycondensation preparation of S@g-C3N4 and NiS-g-C3N4 nanocomposites increased the porosity of the composites. The average values of the optical energy gap for S@g-C3N4 were 2.60 eV and decreased to 2.50, 2.40, and 2.30 eV as the NiS concentration increased from 0.5 to 1.5 wt.%. All NiS-g-C3N4 nanocomposite catalysts had an emission band that was visible in the 410-540 nm range and the intensity of this peak decreased as the NiS concentration increased from 0.5 to 1.5 wt.%. The hydrogen generation rates increased with increasing content of NiS nanosheet. Moreover, the sample 1.5 wt.% NiS showed the highest production rate of 8654 mL/g·min due to the homogeneous surface organization.

Structural and Optical Characterization of g-C3N4 Nanosheet Integrated PVC/PVP Polymer Nanocomposites.

The present work considers the integration of g-C3N4 nanosheets into PVC/PVP polymer nanocomposites at ratios of 0.0, 0.3, 0.6, and 1.0 wt%. The XRD data scans showed semicrystalline structures for all PVC/PVP/g-C3N4 polymer blend films. The FTIR and Raman measurements revealed intermolecular hydrogen bonding between the g-C3N4 surface and the OH- groups of the PVC/PVP network. ESEM morphology analysis for PVC/PVP/g-C3N4 nanocomposite films displayed homogeneous surface textures. The data of TGA showed improved thermal stability as the decomposition temperature increased from 262 to 276 °C with the content of g-C3N4 (0.0-1.0 wt%). The optical absorbance data for PVC/PVP films improved after the addition of g-C3N4. The optical energy gaps showed compositional dependence on the g-C3N4 content, which changed from 5.23 to 5.34 eV at indirect allowed transitions. The refractive index for these blend films enhanced (1.83-3.96) with the inclusion of g-C3N4. Moreover, the optical susceptibility for these nanocomposite films increased as the content of g-C3N4 changed from 0.0 to 1.0 wt%. Finally, the values of the nonlinear refractive index showed improvement with the increased percentage of g-C3N4. When g-C3N4 was added up to 1.0 wt%, the DC conductivity improved from 4.21 × 10-8 to 1.78 × 10-6 S/cm. The outcomes of this study prove the suitable application of PVC/PVP/g-C3N4 in optoelectronic fiber sensors.

New Hybrid PVC/PVP Polymer Blend Modified with Er2O3 Nanoparticles for Optoelectronic Applications.

Polymer blend hybrid nanocomposites are of great importance for future optoelectronic applications. This paper presents the preparation of new polymer blend hybrid nanocomposites based on PVC/PVP modified with Er2O3 nanoparticles. A low-cost solution casting method has been used to prepare the polymer nanocomposites at 0.0, 0.1, 0.3 and 0.6 wt% of Er2O3. X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman spectroscopy, and environmental scanning electron microscopy (ESEM) measurements have all been used to examine the impact of a varying wt% of Er2O3 on the structural and optical characteristics of PVP/PVC polymer blends. The PVC/PVP polymer blend and Er2O3 nanoparticles showed a strong interaction, which was validated by XRD, FTIR, and Raman spectrum investigations. The SEM micrographs showed a remarkable complexation among the components of the polymer nanocomposites. The activation energies for thermal decomposition of PVC/PVP doped with different Er2O3 concentrations were less than that of the pure polymer film. The linear and nonlinear refractive indexes, dispersion energy, optical susceptibility and the energy gap values were found to be Er2O3 concentration-dependent. With an increase in Er2O3 concentration to 0.1 and 0.3 wt%, the dispersion energy and nonlinear refractive index improved, and thereafter decreased when the concentration was further increased to 0.6For the film doped with 0.1 wt% Er2O3, the optical band gap (Eopt) of the composite film enhanced by about 13%. The optical absorption measurements revealed clear improvements with the addition of erbium oxide. Higher refractive index values of PVC/PVP/Er2O3 films qualify the polymer blend as a cladding for electro-optic modulators. Our results indicated that the PVC/PVP/Er2O3 polymer films could be suitable for optoelectronic space applications.

Orientational control of molecular scale thermoelectricity.

Through a comprehensive theoretical study, we demonstrate that single-molecule junctions formed from asymmetric molecules with different terminal groups can exhibit Seebeck coefficients, whose sign depends on the orientation of the molecule within the junction. Three anthracene-based molecules are studied, one of which exhibits this bi-thermoelectric behaviour, due to the presence of a thioacetate terminal group at one end and a pyridyl terminal group at the other. A pre-requisite for obtaining this behaviour is the use of junction electrodes formed from different materials. In our case, we use gold as the bottom electrode and graphene-coated gold as the top electrode. This demonstration of bi-thermoelecricity means that if molecules with alternating orientations can be deposited on a substrate, then they form a basis for boosting the thermovoltage in molecular-scale thermoelectric energy generators (TEGs).

Tele-Rehabilitation Service from the Patient's Perspective: A Cross-Sectional Study.

This study aimed to describe patients' perceptions of tele-rehabilitation (TR) and investigate the association between TR-related factors and both the patients' age and type of rehabilitation services. A cross-sectional survey was conducted to obtain data about patients' demographic and medical information, technological familiarity as well as patients' experience and opinions about TR. The 227 patients completing the survey reported a mean ± SD age of 40.7 ± 13.9 years and musculoskeletal disorders as the most common condition treated by TR. The majority of patients expressed satisfaction and confidence with their therapists' ability to assess and treat their problems using TR. Approximately 75.3% of participants stated that therapists demonstrated a strong understanding of their health conditions, while 82% reported that TR entailed a convenient service during COVID-19. The study found associations between age and patient's ability and confidence to use technology as well as a relationship between the type of treatment received and participants' overall opinions. Patients demonstrated acceptance, confidence, and satisfaction with TR during COVID-19. Patient age and treatment type fulfill a major role in patients' perceptions of TR.

Multi-component self-assembled molecular-electronic films: towards new high-performance thermoelectric systems.

The thermoelectric properties of parallel arrays of organic molecules on a surface offer the potential for large-area, flexible, solution processed, energy harvesting thin-films, whose room-temperature transport properties are controlled by quantum interference (QI). Recently, it has been demonstrated that constructive QI (CQI) can be translated from single molecules to self-assembled monolayers (SAMs), boosting both electrical conductivities and Seebeck coefficients. However, these CQI-enhanced systems are limited by rigid coupling of the component molecules to metallic electrodes, preventing the introduction of additional layers which would be advantageous for their further development. These rigid couplings also limit our ability to suppress the transport of phonons through these systems, which could act to boost their thermoelectric output, without comprising on their impressive electronic features. Here, through a combined experimental and theoretical study, we show that cross-plane thermoelectricity in SAMs can be enhanced by incorporating extra molecular layers. We utilize a bottom-up approach to assemble multi-component thin-films that combine a rigid, highly conductive 'sticky'-linker, formed from alkynyl-functionalised anthracenes, and a 'slippery'-linker consisting of a functionalized metalloporphyrin. Starting from an anthracene-based SAM, we demonstrate that subsequent addition of either a porphyrin layer or a graphene layer increases the Seebeck coefficient, and addition of both porphyrin and graphene leads to a further boost in their Seebeck coefficients. This demonstration of Seebeck-enhanced multi-component SAMs is the first of its kind and presents a new strategy towards the design of thin-film thermoelectric materials.

Insight into the Advances in Clinical Trials of SARS-CoV-2 Vaccines.

Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has thrown a challenge to the scientific community. Several interventions to stop or limit the spread of infection have failed, and every time the virus emerges, it becomes more contagious and more deadly. Vaccinating a significant proportion of the population is one of the established methods to achieve herd immunity. More than 100 COVID-19 vaccines have been designed and tested against the virus. The development of a new vaccine takes years of testing, but due to the pandemic, healthcare authorities have given emergency use authorization for a few vaccines. Among them are BioNTech and Moderna vaccines (mRNA based); ChAdOx1, Gam-COVID-Vac, Janssen vaccines (vector-based); CoronaVac, COVAXIN (virus inactivated); and EpiVacCorona vaccine (viral peptide). Mixtures of vaccines are also being tested to evaluate their efficacy against mutant strains of SARS-CoV-2. All these vaccines in clinical trials have shown robust production of neutralizing antibodies sufficient to prevent infection. Some of the vaccinated people reported serious complications. However, no definitive relationship could be established between vaccination administration and the occurrence of these complications. None of the COVID-19 vaccines approved to date have been found to be effective against all of the SARS-CoV-2 variants.

Cross-cultural adaptation and validation of the Arabic version of the upper extremity functional index.

PURPOSE: The purpose of this study was to translate and cross-culturally adapt the UEFI into Modern Standard Arabic language and to examine its psychometric properties among patients with upper extremity musculoskeletal disorders. MATERIALS AND METHODS: Translation and cross-cultural adaptation were done following Beaton's guidelines. Internal consistency, test-retest reliability, measurement error and floor and ceiling effects for the Arabic UEFI were tested among 109 patients with upper extremity musculoskeletal disorders. Construct validity of the Arabic UEFI was also examined. RESULTS: Translation and cross-cultural adaptation processes were generally smooth with no major issues. The Arabic UEFI was considered appropriate and comprehensible by the participants. Internal consistency for Arabic UEFI was adequate (Cronbach's alpha = 0.96). Test-retest reliability for Arabic UEFI was excellent with ICC2,1=0.92. Measurement error was acceptable with a standard error of measurement of 5.5 and minimal detectable change of 12.8 points. Arabic UEFI shows no floor or ceiling effects. The results supported the majority of the construct validity predefined hypotheses (78%) supporting the construct validity of Arabic UEFI as a measure of upper extremity function. CONCLUSION: The Arabic UEFI is an appropriate, valid and reliable outcome measure for Arabic-speaking patients with upper extremity musculoskeletal disorders.Implication for Rehabilitation:The Arabic UEFI is an acceptable, clear and comprehensible outcome measure.The Arabic UEFI has excellent internal consistency, test-retest reliability, and acceptable measurement error with no floor and ceiling effects.The Arabic UEFI is a valid measure of upper extremity activity limitation.

Satisfaction of patients with health care services in tertiary care facilities of Riyadh, Saudi Arabia: A cross-sectional approach.

As part of Saudi Vision 2030, the country's healthcare system is undergoing a significant makeover, with accessibility and effectiveness serving as the benchmarks for measuring patient care quality. This study's goal was to ascertain the degree of patient satisfaction with the medical care and services received in Riyadh's tertiary care facilities. The PSQ-18 (Patient Satisfaction Questionnaire-18), a standardized validated questionnaire including areas of "overall satisfaction," "technical quality," "interpersonal aspect," "communication," "financial aspect," "time spent with the doctor," and "accessibility and convenience," was used in this cross-sectional study on 384 patients of two tertiary care facilities in Riyadh, Saudi Arabia, over a 6-month period. The degree to which sociodemographic characteristics and components of patient satisfaction are correlated was assessed using binary and multiple regression analysis. When the P-value was < 0.05, the results were considered significant and were presented as adjusted odds ratios (AOR). To ascertain how each PSQ-18 subscale affected other subscales, a Pearson Correlation analysis was conducted. The overall degree of satisfaction with all 18 items was 73.77%. The financial component received a rating of 81% compared to 77% for general satisfaction. Technical quality (75%) was followed by accessibility and convenience (73.5%), communication (73%), and interpersonal elements (72%). At 68%, the time spent in the doctor's domain received the lowest rating. The odds of satisfaction were increased by 3.87 times, 3.45 times, and 3.36 times among those who are employed, qualified by university education, and married compared to unemployed (P-value = 0.018), less qualified (P-value = 0.015) and singles (P-value = 0.026), respectively. The younger age group also made 1.78 times more of a difference in higher satisfaction ratings. The general satisfaction domain showed a positive association with other areas. Participants who were satisfied with the communication and accessibility and convenience domains of healthcare providers were the only ones who were typically satisfied with the domain of doctor time spent. The study's findings could act as a benchmark for Saudi Arabia's healthcare services as well as a starting point for quality assurance procedures.

A Patent Review on the Therapeutic Application of Monoclonal Antibodies in COVID-19.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) contains spike proteins that assist the virus in entering host cells. In the absence of a specific intervention, efforts are afoot throughout the world to find an effective treatment for SARS-CoV-2. Through innovative techniques, monoclonal antibodies (MAbs) are being designed and developed to block a particular pathway of SARS-CoV-2 infection. More than 100 patent applications describing the development of MAbs and their application against SARS-CoV-2 have been registered. Most of them target the receptor binding protein so that the interaction between virus and host cell can be prevented. A few monoclonal antibodies are also being patented for the diagnosis of SARS-CoV-2. Some of them, like Regeneron® have already received emergency use authorization. These protein molecules are currently preferred for high-risk patients such as those over 65 years old with compromised immunity and those with metabolic disorders such as obesity. Being highly specific in action, monoclonal antibodies offer one of the most appropriate interventions for both the prevention and treatment of SARS-CoV-2. Technological advancement has helped in producing highly efficacious MAbs. However, these agents are known to induce immunogenic and non-immunogenic reactions. More research and testing are required to establish the suitability of administering MAbs to all patients at risk of developing a severe illness. This patent study is focused on MAbs as a therapeutic option for treating COVID-19, as well as their invention, patenting information, and key characteristics.

Cytoprotective Potential of Aged Garlic Extract (AGE) and Its Active Constituent, S-allyl-l-cysteine, in Presence of Carvedilol during Isoproterenol-Induced Myocardial Disturbance and Metabolic Derangements in Rats.

This study was conducted to determine the potential interaction of aged garlic extract (AGE) with carvedilol (CAR), as well as to investigate the role of S-allyl-l-cysteine (SAC), an active constituent of AGE, in rats with isoproterenol (ISO)-induced myocardial dysfunction. At the end of three weeks of treatment with AGE (2 and 5 mL/kg) or SAC (13.1 and 32.76 mg/kg), either alone or along with CAR (10 mg/kg) in the respective groups of animals, ISO was administered subcutaneously to induce myocardial damage. Myocardial infarction (MI) diagnostic predictor enzymes, lactate dehydrogenase (LDH) and creatinine kinase (CK-MB), were measured in both serum and heart tissue homogenates (HTH). Superoxide dismutase (SOD), catalase, and thiobarbituric acid reactive species (TBARS) were estimated in HTH. When compared with other groups, the combined therapy of high doses of AGE and SAC given alone or together with CAR caused a significant decrease in serum LDH and CK-MB activities. Further, significant rise in the LDH and CK-MB activities in HTH was noticed in the combined groups of AGE and SAC with CAR. It was also observed that both doses of AGE and SAC significantly increased endogenous antioxidants in HTH. Furthermore, histopathological observations corroborated the biochemical findings. The cytoprotective potential of SAC and AGE were dose-dependent, and SAC was more potent than AGE. The protection offered by aged garlic may be attributed to SAC. Overall, the results indicated that a high dose of AGE and its constituent SAC, when combined with carvedilol, has a synergistic effect in preventing morphological and physiological changes in the myocardium during ISO-induced myocardial damage.

Optimised power harvesting by controlling the pressure applied to molecular junctions.

A major potential advantage of creating thermoelectric devices using self-assembled molecular layers is their mechanical flexibility. Previous reports have discussed the advantage of this flexibility from the perspective of facile skin attachment and the ability to avoid mechanical deformation. In this work, we demonstrate that the thermoelectric properties of such molecular devices can be controlled by taking advantage of their mechanical flexibility. The thermoelectric properties of self-assembled monolayers (SAMs) fabricated from thiol terminated molecules were measured with a modified AFM system, and the conformation of the SAMs was controlled by regulating the loading force between the organic thin film and the probe, which changes the tilt angle at the metal-molecule interface. We tracked the thermopower shift vs. the tilt angle of the SAM and showed that changes in both the electrical conductivity and Seebeck coefficient combine to optimize the power factor at a specific angle. This optimization of thermoelectric performance via applied pressure is confirmed through the use of theoretical calculations and is expected to be a general method for optimising the power factor of SAMs.

Correction: Molecular-scale thermoelectricity: as simple as 'ABC'.

[This corrects the article DOI: 10.1039/D0NA00772B.].

Molecular-scale thermoelectricity: as simple as 'ABC'.

If the Seebeck coefficient of single molecules or self-assembled monolayers (SAMs) could be predicted from measurements of their conductance-voltage (G-V) characteristics alone, then the experimentally more difficult task of creating a set-up to measure their thermoelectric properties could be avoided. This article highlights a novel strategy for predicting an upper bound to the Seebeck coefficient of single molecules or SAMs, from measurements of their G-V characteristics. The theory begins by making a fit to measured G-V curves using three fitting parameters, denoted a, b, c. This 'ABC' theory then predicts a maximum value for the magnitude of the corresponding Seebeck coefficient. This is a useful material parameter, because if the predicted upper bound is large, then the material would warrant further investigation using a full Seebeck-measurement setup. On the other hand, if the upper bound is small, then the material would not be promising and this much more technically demanding set of measurements would be avoided. Histograms of predicted Seebeck coefficients are compared with histograms of measured Seebeck coefficients for six different SAMs, formed from anthracene-based molecules with different anchor groups and are shown to be in excellent agreement.