Probiotic evaluation, adherence capability and safety assessment of Lactococcus lactis strain isolated from an important herb "Murraya koenigii".

Lactic acid bacteria (LAB) isolated from medicinal herb Murraya koenigii, commonly known as curry leaf, which promotes the growth and maintenance of gut microbiota, were studied for their probiotic potential. The key objective of this research was to isolate and evaluate probiotic characteristics, test adherence capabilities, and confirm their safety. Lactococcus lactis (MKL8), isolated from Murraya koenigii, was subjected to in vitro analysis to assess its resistance to the gastric environment, ability to adhere Caco-2 cells, anti-microbial activity, hydrophobicity, auto-aggregation, and safety profiling through MTT assay and hemolytic. MKL8 exhibited growth at 0.5% phenol concentrations (> 80%) and was able to survive in conditions with high bile concentrations (> 79%) and a relatively low pH (72%-91%). It shows high tolerance to high osmotic conditions (> 73%) and simulated gastric juice (> 72%). Additionally, MKL8 demonstrated strong hydrophobicity (85%), auto-aggregation (87.3%-91.7%), and adherence to Caco-2 cells. Moreover, it had an inhibitory effect against pathogens too. By performing the hemolytic and MTT assays, the non-toxicity of MKL8 isolate was examined, and it exhibited no harmful characteristics. Considering MKL8's resistance to gastrointestinal tract conditions, high surface hydrophobicity, non-toxicity, and ability to inhibit the tested pathogens, it can be concluded that MKL8 demonstrated promising probiotic properties and has potential for use in the food industry.

Engineering both intrinsic characteristic and local microenvironment of platinum sites toward highly efficient oxygen reduction reaction.

The optimization of the adsorption of oxygen-containing intermediates on platinum (Pt) sites of Pt-based electrocatalysts is crucial for the oxygen reduction reaction process. Currently, a large amount of researches mainly focus on modifying the bulk structure of the electrocatalysts, however, the vital role of solvent effect on the phase interfaces is often overlooked. Here, we successfully developed an electrocatalyst in which the ordered PtCo alloy anchors on the cobalt (Co) single-atoms/clusters decorated support (Co1,nNC) and its surface is further optimized using hydrophobic ionic liquid (IL). Experimental studies and theoretical calculations indicate that compressive stress on Pt lattice contributed by intrinsic structure and the local hydrophobicity caused by IL on the surface can suppress the stabilization of *OH on Pt. This synergistic effect affords outstanding catalytic performance, exhibiting a half-wave potential (E1/2) of 0.916 V vs. RHE and a mass activity (MA) of 1350.3 mA mgPt-1 in 0.1 mol/L perchloric acid (0.1 M HClO4) electrolyte, much better than the commercial Pt/C (0.849 V vs. RHE and 145.5 mA mgPt-1 for E1/2 and MA, respectively). Moreover, the E1/2 of IL-PtCo/Co1,nNC only lost 5 mV after 10,000 cyclic voltammetry (CV) cycles due to a strong and synergistic contact of the intermetallic PtCo alloy with the Co1,nNC support and IL. This research provides an effective method for designing efficient electrocatalysts by combining intrinsic structure and surface modification.

A demethylated lignin improved PVA-based supramolecular plastic with tough, degradable, and water-resistant performances.

Poly (vinyl alcohol) (PVA), as an excellent degradable plastic feedstock, is limited by its diminishing stability in wet environment, low strength, thermal instability and nonopaque properties. In response to these concerns, a PVA/demethylated lignin-based supramolecular plastic (DPVA-HA-Fe-5) was designed and produced from PVA, demethylated lignin (DL), humic acid (HA) and Fe3+ ions via a simple casting method. As compared with pure PVA plastic, the tensile strength of DPVA-HA-Fe-5 were increased by 411 % to 410.61 MPa, and the breaking strain was increased by 149 % to 239.47 %. Notably, the hydrophobicity of DPVA-HA-Fe-5 was also significantly improved. Although in highly humid environment (stored in RH = 100 % for 10 days) or in alkaline organic solvent (stored in pyridine for 3 h), DPVA-HA-Fe-5 also showed excellent mechanical strengths of 302.9 and 222.99 MPa, respectively, which are equivalent or even superior to the most of commercial petroleum-based plastics. Moreover, the prepared plastics showed an outstanding UV resistance and shading performance, and about 98.3 % protection against ultraviolet radiation B rays and 90.7 % protection against visible light were obtained. In short, the introduction of lignin to improve the performance of PVA-based plastic is a feasible method, and it could facilitate the development of high-value utilization of lignin.

Infrared Spectroscopy of SARS-CoV-2 Viral Protein: from Receptor Binding Domain to Spike Protein.

Spike (S) glycoprotein is the largest structural protein of SARS-CoV-2 virus and the main one involved in anchoring of the host receptor ACE2 through the receptor binding domain (RBD). S protein secondary structure is of great interest for shedding light on various aspects, from functionality to pathogenesis, finally to spectral fingerprint for the design of optical biosensors. In this paper, the secondary structure of SARS-CoV-2 S protein and its constituting components, namely RBD, S1 and S2 regions, are investigated at serological pH by measuring their amide I infrared absorption bands through Attenuated Total Reflection Infrared (ATR-IR) spectroscopy. Experimental data in combination with MultiFOLD predictions, Define Secondary Structure of Proteins (DSSP) web server and Gravy value calculations, provide a comprehensive understanding of RBD, S1, S2, and S proteins in terms of their secondary structure content, conformational order, and interaction with the solvent.

Chitosan-Surfactant Composite Nanocoatings on Glass and Zinc Surfaces Prepared from Aqueous Solutions.

Hydrophobic coatings from chitosan-surfactant composites (ca. 400 nm thick by UV-Vis spectroscopy) for possible corrosion protection were developed on glass and zinc substrates. The surfactants (sodium dodecyl sulfate, SDS or sodium dodecylbenzenesulfonate, and SDBS) were added to the chitosan by two methods: mixing the surfactants with the aqueous chitosan solutions before film deposition or impregnating the deposited chitosan films with surfactants from their aqueous solutions. For the mixed coatings, it was found that the lower surface tension of solutions (40-45 mN/m) corresponded to more hydrophobic (80-90°) coatings in every case. The hydrophobicity of the impregnated coatings was especially significant (88° for SDS and 100° for SDBS). Atomic force microscopy studies revealed a slight increase in roughness (max 1.005) for the most hydrophobic coatings. The accumulation of surfactants in the layer was only significant (0.8-1.0 sulfur atomic %) in the impregnated samples according to X-ray photoelectron spectroscopy. Polarization and electron impedance spectroscopy tests confirmed better barrier properties for these samples (40-50% pseudo-porosity instead of 94%). The degree of swelling in a water vapor atmosphere was significantly lower in the case of the impregnated coatings (ca. 25%) than that of the native ones (ca. 75%), measured by spectroscopic ellipsometry. Accordingly, good barrier layer properties require advantageous bulk properties in addition to surface hydrophobicity.

Comprehensive Analysis of Wettability in Waterproofed Gas Diffusion Layers for Polymer Electrolyte Fuel Cells.

In polymer electrolyte fuel cells (PEFCs), the gas diffusion layer (GDL) is crucial for managing the flooding tolerance, which is the ability to remove the water produced during power generation from the assembled cell. However, an improved understanding of the properties of GDLs is required to develop effective waterproofing strategies. This study investigated the influence of the polytetrafluoroethylene (PTFE) content on the pore diameter, porosity, wettability, water saturation, and flooding tolerance of waterproofed carbon papers as cathode GDLs in PEFCs. The addition of minimal PTFE (∼6 wt %) to carbon paper provided external waterproofing, whereas internal waterproofing was achieved at a higher PTFE content (∼13 wt %). However, excessive PTFE (∼37 wt %) led to macropore collapse within the carbon paper, reducing fuel cell performance. Although PTFE addition was expected to improve the flooding tolerance, operando synchrotron X-ray radiography revealed that the water saturation level in carbon paper increased with increasing PTFE content. These findings provide a benchmark for assessing whether GDLs meet the flooding tolerance requirements of PEFCs and may be applicable to waterproofed GDLs in electrochemical devices for water and CO2 electrolysis.

Study on the Aging Characteristics of a ±500 kV Composite Dead-End Insulator in Longtime Service.

Composite insulators have been widely used in power grids due to their excellent electrical-external-insulation performance. Long-term operation at high voltage levels accelerates the aging of composite insulators; however, there is a scarcity of research on aged composite insulators operating at 500 kV for over ten years. In this paper, the mechanical, electrical, and microscopic properties were tested on different sheds along a 500 kV composite insulator that had been running for 18 years. Additionally, the results were compared with a new insulator and the standards for live insulator operation. The results showed that the aging of the high-voltage end of composite insulators was the most serious. The results of the physical properties test indicated that the insulator's hardness was compliant but its tensile strength and break elongation did not meet standards. Under wet conditions, the pollution flashover voltage decreases by about 50% compared to the new insulator. Combined with the microscopic test results, the shed skeleton structure could be damaged and the filler might be lost during the aging process of polydimethylsiloxane (PDMS). The hardness of the insulator would increase by the precipitation of inorganic silicon; however, inorganic silicon might destroy the hydrophobicity and other properties of insulator sheds. These results can provide theoretical references for insulator life prediction and operation protection.

The effect of Dunaliella salina extracts on the adhesion of Pseudomonas aeruginosa to 3D printed polyethylene terephthalate and polylactic acid.

Polyethylene terephthalate (PET) and polylactic acid (PLA) are among the polymers used in the food industry. In this study, crude extracts of Dunaliella salina were used to treat the surface of 3D printed materials studied, aiming to provide them with an anti-adhesive property against Pseudomonas aeruginosa. The hydrophobicity of treated and untreated surfaces was characterized using the contact angle method. Furthermore, the adhesive behavior of P. aeruginosa toward the substrata surfaces was also studied theoretically and experimentally. The results showed that the untreated PLA was hydrophobic, while the untreated PET was hydrophilic. It was also found that the treated materials became hydrophilic and electron-donating. The total energy of adhesion revealed that P. aeruginosa adhesion was theoretically favorable on untreated materials, while it was unfavorable on treated ones. Moreover, the experimental data proved that the adhesion to untreated substrata was obtained, while there was complete inhibition of adhesion to treated surfaces.

The zinc absorption of the novel peptide-Zn complex in Caco-2 cells: effects of soybean peptides charge and hydrophobicity.

BACKGROUND: The supplemental effect of zinc depends not only on adequate intake, but also on how efficiently it is absorbed in the small intestine. In the present study, weak hydrophobic peptides (WHP), strong hydrophobic peptides (SHP), positively charged peptides (PCP) and negatively charged peptides (NCP) were isolated from soybean peptides (SP). The peptide-Zn complexes (PCP-Zn, NCP-Zn, WHP-Zn, SHP-Zn and SP-Zn) were prepared to compare their promotion zinc absorption capacity in the Caco-2 cells monolayers model. RESULTS: We found that the carboxyl, carbonyl and amino groups in peptide were the primary binding sites of Zn. Compared with zinc sulfate, the peptide-Zn complexes with different charge and hydrophobic peptides could improve zinc solubility at different pH. NCP-Zn had a lower Zn-binding capacity but a higher zinc absorption capacity compared to that of PCP-Zn in Caco-2 cells. In addition, the capacity of PCP-Zn to promote zinc absorption was lower than the control group (SP-Zn). There were no significant differences in transport rates, retention rates and uptake rates of WHP-Zn, SHP-Zn and SP-Zn. NCP-Zn could improve the activity of Zn-related enzymes, and the expression levels of PepT1 and ZnT1 were higher than other peptide-Zn complexes. CONCLUSION: The promotion zinc absorption capacity of peptide-Zn complexes was not completely dependent on the Zn-binding capacity, but also depended on the charge and hydrophobicity of peptides. © 2024 Society of Chemical Industry.

Modification of Epoxy Coatings with Fluorocontaining Organosilicon Copolymers.

Preparation of hydrophobic coatings is still a challenge for researchers in various fields of science. One of the easiest ways consists of the use of special modifiers. However, usually such modifiers are poorly compatible with organic polymeric matrixes, which leads to segregation of modifiers and deterioration of coating properties. In this work, we have synthesized a number of organosilicon copolymers and studied their compatibility with epoxy matrix and hydrophobic efficiency. It was shown that the increase of phenyl-containing units leads to increase of compatibility but decreases hydrophobic efficiency. Addition of small amounts of such modifiers into commercial epoxy paint material can lead to an increase of contact angle of the final coating from 63 to 87° without deterioration of other physico-mechanical properties. These results open new perspectives in preparation of organosilicon hydrophobic modifiers with directed properties for fields of application such as paints and coating materials.

The MATH test. A three-phase assay?

This study aimed to investigating the possible interference caused by glass test tubes on the quantification of bacterial adhesion to hydrocarbons by the MATH test. The adhesion of four bacteria to hexadecane and to glass test tubes was evaluated employing different suspending polar phases. The role of the ionic strength of the polar phase regarding adhesion to glassware was investigated. Within the conditions studied, Gram-positive bacteria adhered to both the test tube and the hydrocarbon regardless of the polar phase employed; meanwhile, Escherichia coli ATCC 25922 did not attach to either one. The capacity of the studied microorganisms to adhere to glassware was associated with their electron-donor properties. The ionic strength of the suspending media altered the patterns of adhesion to glass in a strain-specific manner by defining the magnitude of electrostatic repulsion observed between bacteria and the glass surface. This research demonstrated that glass test tubes may interact with suspended bacterial cells during the MATH test under specific conditions, which may lead to overestimating the percentage of adhesion to hydrocarbons and, thus, to erroneous values of cell surface hydrophobicity.

Modulating the conformation of microgels by complexation with inorganic nanoparticles.

HYPOTHESIS: The complexation of microgels with rigid nanoparticles is an effective way to impart novel properties and functions to the resulting hybrid particles for applications such as in optics, catalysis, or for the stabilization of foams/emulsions. The nanoparticles affect the conformation of the polymer network, both in bulk aqueous environments and when the microgels are adsorbed at a fluid interface, in a non-trivial manner by modulating the microgel size, stiffness and apparent contact angle. EXPERIMENTS: Here, we provide a detailed investigation, using light scattering, in-situ atomic force microscopy and nano-indentation experiments, of the interaction between poly(N-isopropylacrylamide) microgels and hydrophobized silica nanoparticles after mixing in aqueous suspension to shed light on the network reorganization upon nanoparticle incorporation. FINDINGS: The addition of nanoparticles decreases the microgels' bulk swelling and thermal response. When adsorbed at an oil-water interface, a higher ratio of nanoparticles influences the microgel's stiffness as well as their hydrophobic/hydrophilic character by increasing their effective contact angle, consequently modulating the monolayer response upon interfacial compression. Overall, these results provide fundamental understanding on the complex conformation of hybrid microgels in different environments and give inspiration to design new materials where the combination of a soft polymer network and nanoparticles might result in additional functionalities.

Effect of molecular weight of PEI on the strength and hydrophobic performance of fiber-based papers via PEI-KH560 surface sizing.

In recent years, researchers have put much attention on the improvements and upgrades of novel wet strength agent in the papermaking fields, especially in the usage of household paper. Herein, PEIM-KH560 by polyethyleneimine (PEI) and γ-glycidyl ether propyl trimethoxysilane (KH560) was synthesized with five molecular weights (Mw) of PEI at 600, 1800, 10,000, 70,000 and 750,000. Results showed that the molecular weight greatly influenced the physicochemical properties of PEI-KH560, such as the size and thermal stability. The intrinsic cationic charge of PEI-KH560 provided the bonding sites with the paper fibers, forming strengthened fiber-fiber joints. It was shown that the dry, wet strength and hydrophobicity of cellulosic paper sheets were obviously improved. When the m (PEI):m(KH560) is 1:2, the strength of papers after sizing by Mw of PEI at 600 and 1800 is the most obvious, with the dry strength increased by 227.9 % and 187.5 %, and the wet strength increased by 183.8 % and 207.8 %, respectively. The maximum hydrophobicity was found at the PEI1800-KH560 with the contact angle value of 130.6°. The resultant environmental-friendly agent (PEI-KH560) obtained in this work provides valuable significance for the preparation of household and food packaging paper.

The improvement of flame retardancy and compatibility of PBAT/PLLA via a hybrid polyurethane.

Poly (butylene adipate-co-terephthalate)/poly (L-lactic acid) (PBAT/PLLA) is one of the most important biodegradable polymer combinations; however, they are flammable with heavy melt dripping and incompatible. To achieve the objective of flame retardation and compatibility, a hybrid polyurethane (PU) with multiple flame retardation elements is synthesized via a new ring-opening polymerization (ROP) method and integrated into PBAT/PLLA film. The PU not only dissolves in different organic solvents at mild temperature but also improves the compatibility of PBAT/PLLA. As PU with respect to PBAT/PLLA is 20 wt%, the limiting oxygen index (LOI) and UL-94 reach 25.5 % and V-0 rating, respectively. In cone calorimeter test, the peak heat release rate (pHRR) of PU/PBAT/PLLA is ahead of PBAT/PLLA, and the total heat release (THR) decreases to 25.85 MJ/m2. The fire safety is achieved successfully. The initial pyrolysis of PU promotes the formation of a seed carbon layer; it continuously breaks down into a series of phosphorus­oxygen radicals and generates different inert gases, while the pyrolytic solid products accelerate the carbonization to form the carbon/silicon composite layer. Then the polymeric combustion is braked completely. Besides, the PU can also tune the mechanical properties of PBAT/PLLA film and enhance its hydrophobicity. This work opens a new window for developing multifunctional flame retardant and paves the way for the richening engineering application of PBAT/PLLA.

Improving Biodegradable Films from Corn Bran Arabinoxylan for Hydrophobic Material and Green Food Packaging.

Non-biodegradable plastic materials pose environmental hazards and contribute to pollution. Arabinoxylan (AX) films have been created for applications in food packaging to replace these materials. The water interaction characteristics of biodegradable AX films were assessed following the extraction of AX from dry-milled corn bran (DCB), wet-milled corn bran (WCB), and dried distiller's grains with solubles (DDGS). Films were prepared with laccase and sorbitol before surface modification with lipase-vinyl acetate. Water solubility of the modified DCB films was significantly reduced (p < 0.05); however, the water solubility of modified WCB films decreased insignificantly (p > 0.05) compared to unmodified films. Water vapor permeability of the modified AX films from WCB and DDGS was significantly reduced (p < 0.05), unlike their unmodified counterparts. The biodegradation rates of the modified WCB AX and DDGS films increased after 63 and 99 days, respectively, compared to the unmodified films. The hydrophilic nature of AX polymers from WCB and DDGS enhances the biodegradability of the films. This study found that the modified WCB AX film was more hydrophobic, and the modified DDGS AX film was more biodegradable than the modified DCB AX film. Overall, surface modifications have potential for improving hydrophobicity of biopolymer films.

In Vitro Biological Activities of Hesperidin-Related Compounds with Different Solubility.

The biological activities of hesperidin-related compounds, such as hesperetin laurate (HTL), hesperetin (HT), hesperidin (HD), and hesperidin glucoside (HDG), were investigated in vitro. The compounds showed different hydrophobicities, and the octanol-water partition coefficient log P were 7.28 ± 0.06 for HTL, 2.59 ± 0.04 for HT, 2.13 ± 0.03 for HD, and -3.45 ± 0.06 for HDG, respectively. In the DPPH assay and ß-carotene bleaching assay to determine antioxidant capacity, all compounds tested showed antioxidant activity in a concentration-dependent manner, although to varying degrees. HTL and HT showed similarly high activities compared to HD or HDG. HD and HDG did not show a significant difference despite the difference in solubility between the two. Cytotoxicity was high; in the order of hydrophobicity-HTL > HT > HD > HDL in keratinocyte HaCaT cells. All compounds tested showed reducing effects on cellular inflammatory mediators and cytokines induced by UV irradiation. However, HTL and HT effectively reduced nitric oxide (NO), tumor necrosis factor α (TNF-α), and interleukin-6 (IL-6) levels compared to HD and HDG. The inhibitory effects of hesperidin-related compounds on skin-resident microorganisms were evaluated by measuring minimum inhibitory concentration (MIC). HTL showed the highest inhibitory effects against Staphylococcus aureus, Cutibacterium acnes, Candida albicans, and Malassezia furfur, followed by HT, while HD and HDF showed little effect. In conclusion, the hydrophobicity of hesperidin-related compounds was estimated to be important for biological activity in vitro, as was the presence or absence of the sugar moiety.

In Situ Self-Growth of a ZnO Nanorod Array on Nonwoven Fabrics for Empowering Superhydrophobic and Antibacterial Features.

ZnO nanorod nonwoven fabrics (ZNRN) were developed through hydrothermal synthesis to facilitate the prevention of the transmission of respiratory pathogens. The superhydrophobicity and antibacterial properties of ZNRN were improved through the response surface methodology. The synthesized material exhibited significant water repellency, indicated by a water contact angle of 163.9°, and thus demonstrated antibacterial rates of 91.8% for Escherichia coli (E. coli) and 79.75% for Staphylococcus aureus (S. aureus). This indicated that E. coli with thinner peptidoglycan may be more easily killed than S. aureus. This study identified significant effects of synthesis conditions on the antibacterial effectiveness, with comprehensive multivariate analyses elucidating the underlying correlations. In addition, the ZnO nanorod structure of ZNRN was characterized through SEM and XRD analyses. It endows the properties of superhydrophobicity (thus preventing bacteria from adhering to the ZNRN surface) and antibacterial capacity (thus damaging cells through the puncturing of these nanorods). Consequently, the alignment of two such features is desired to help support the development of personal protective equipment, which assists in avoiding the spread of respiratory infections.

Unveiling the influence of hydrophobicity on inhibiting hydrogen dissociation for enhanced photocatalytic hydrogen evolution of covalent organic frameworks.

Covalent organic frameworks (COFs) have gained considerable interest as candidate photocatalysts for hydrogen evolution. In this work, we synthesized ß-keto-enamine-based COFs (TpPa-X, TpDB, and TpDTP) to explore the relations between structures and photocatalytic hydrogen evolution. COFs were divided into two groups: (1) TpPa-X with different substituents attached to the TpPa backbone and (2) COFs featuring diamine linkers of varied lengths (TpDB and TpDTP). Experiments and density functional theory (DFT) calculations show that moderate hydrophobicity is favorable for the photocatalytic hydrogen evolution process, and acceptable contact angles are anticipated to range from 65° to 80°. Naturally, there are comprehensive factors that affect photocatalytic reactions, and the regulation of different backbones and substituents can considerably affect the performance of COFs for photocatalytic hydrogen evolution in terms of electronic structure, specific surface area, surface wettability, carrier separation efficiency, and hydrogen dissociation energy. Results show that TpPa-Cl2 (TpPa-X, X  = Cl2) demonstrates the highest photocatalytic activity, approximately 14.51 mmol g-1h-1, with an apparent quantum efficiency of 4.62 % at 420 nm. This work provides guidance for designing efficient COF-based photocatalysts.

Impacts of Perfluoroalkyl Substances on Aqueous and Nonaqueous Phase Liquid Dechlorination by Sulfidized Nanoscale Zerovalent Iron.

Per- and poly fluoroalkyl substances (PFASs) are often encountered with nonaqueous phase liquid (NAPL) in the groundwater at fire-fighting and military training sites. However, it is unclear how PFASs affect the dechlorination performance of sulfidized nanoscale zerovalent iron (S-nFe0), which is an emerging promising NAPL remediation agent. Here, S-nFe0 synthesized with controllable S speciation (FeS or FeS2) were characterized to assess their interactions with PFASs and their dechlorination performance for trichloroethylene NAPL (TCE-NAPL). Surface-adsorbed PFASs blocked materials' reactive sites and inhibited aqueous TCE dechlorination. In contrast, PFASs-adsorbed particles with improved hydrophobicity tended to enrich at the NAPL-water interface, and the reactive sites were re-exposed after the PFASs accumulation into the NAPL phase to accelerate dechlorination. This PFASs-induced phenomenon allowed the materials to present a higher reactivity (up to 1.8-fold) with a high electron efficiency (up to 99%) for TCE-NAPL dechlorination. Moreover, nFe0-FeS2 with a higher hydrophobicity was more readily enriched at the NAPL-water interface and more reactive and selective than nFe0-FeS, regardless of coexisting PFASs. These results unveil that a small amount of yet previously overlooked coexisting PFASs can favor selective reductions of TCE-NAPL by S-nFe0, highlighting the importance of materials hydrophobicity and transportation induced by S and PFASs for NAPL remediation.

Molecular surface descriptors to predict antibody developability: sensitivity to parameters, structure models, and conformational sampling.

In silico assessment of antibody developability during early lead candidate selection and optimization is of paramount importance, offering a rapid and material-free screening approach. However, the predictive power and reproducibility of such methods depend heavily on the selection of molecular descriptors, model parameters, accuracy of predicted structure models, and conformational sampling techniques. Here, we present a set of molecular surface descriptors specifically designed for predicting antibody developability. We assess the performance of these descriptors by benchmarking their correlations with an extensive array of experimentally determined biophysical properties, including viscosity, aggregation, hydrophobic interaction chromatography, human pharmacokinetic clearance, heparin retention time, and polyspecificity. Further, we investigate the sensitivity of these surface descriptors to methodological nuances, such as the choice of interior dielectric constant, hydrophobicity scales, structure prediction methods, and the impact of conformational sampling. Notably, we observe systematic shifts in the distribution of surface descriptors depending on the structure prediction method used, driving weak correlations of surface descriptors across structure models. Averaging the descriptor values over conformational distributions from molecular dynamics mitigates the systematic shifts and improves the consistency across different structure prediction methods, albeit with inconsistent improvements in correlations with biophysical data. Based on our benchmarking analysis, we propose six in silico developability risk flags and assess their effectiveness in predicting potential developability issues for a set of case study molecules.